N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine

C48H87NO2 — CID 123778835

IUPACN,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine
SMILESCCCCCC1CC1CC1CC1CC1CC1CCCCCOCC(CN(C)C)OCCCCCC1CC1CC1CC1CC1(C)CC1CCCCC
InChIInChI=1S/C48H87NO2/c1-6-8-12-18-36-24-39(36)27-42-30-43(42)28-40-25-37(40)19-14-10-16-22-50-35-47(34-49(4)5)51-23-17-11-15-20-38-26-41(38)29-44-31-45(44)32-48(3)33-46(48)21-13-9-7-2/h36-47H,6-35H2,1-5H3
InChIKeyIBORDWVIFOFUFW-UHFFFAOYSA-N
MW710.23 g/mol
LogP13.00
Rot. Bonds33

About N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine

N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine (PubChem CID 123778835) has the molecular formula C48H87NO2 and a molecular weight of 710.23 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine
PubChem CID123778835
Molecular FormulaC48H87NO2
Molecular Weight710.23 g/mol
Exact Mass709.67
IUPAC NameN,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine
SMILESCCCCCC1CC1CC1CC1CC1CC1CCCCCOCC(CN(C)C)OCCCCCC1CC1CC1CC1CC1(C)CC1CCCCC
InChIInChI=1S/C48H87NO2/c1-6-8-12-18-36-24-39(36)27-42-30-43(42)28-40-25-37(40)19-14-10-16-22-50-35-47(34-49(4)5)51-23-17-11-15-20-38-26-41(38)29-44-31-45(44)32-48(3)33-46(48)21-13-9-7-2/h36-47H,6-35H2,1-5H3
InChIKeyIBORDWVIFOFUFW-UHFFFAOYSA-N
XLogP13.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds33
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.23
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine (CID 123778835) is N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine is CCCCCC1CC1CC1CC1CC1CC1CCCCCOCC(CN(C)C)OCCCCCC1CC1CC1CC1CC1(C)CC1CCCCC.
What is the InChIKey of N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine?
The InChIKey is IBORDWVIFOFUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H87NO2/c1-6-8-12-18-36-24-39(36)27-42-30-43(42)28-40-25-37(40)19-14-10-16-22-50-35-47(34-49(4)5)51-23-17-11-15-20-38-26-41(38)29-44-31-45(44)32-48(3)33-46(48)21-13-9-7-2/h36-47H,6-35H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine?
N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine has a molecular weight of 710.23 g/mol, XLogP of 13.00, 33 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[5-[2-[[2-[(1-methyl-2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]-3-[5-[2-[[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]methyl]cyclopropyl]pentoxy]propan-1-amine is sourced from PubChem (CID 123778835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).