2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine

C18H42N4O3 — CID 57261654

IUPAC2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine
SMILESCC(CN(CC(C)OCCCN)CC(C)OCCCN)OCCCN
InChIInChI=1S/C18H42N4O3/c1-16(23-10-4-7-19)13-22(14-17(2)24-11-5-8-20)15-18(3)25-12-6-9-21/h16-18H,4-15,19-21H2,1-3H3
InChIKeyIHHBRRVRSYODAV-UHFFFAOYSA-N
MW362.56 g/mol
LogP0.55
Rot. Bonds18

About 2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine

2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine (PubChem CID 57261654) has the molecular formula C18H42N4O3 and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine.

Molecular Properties

Compound Name2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine
PubChem CID57261654
Molecular FormulaC18H42N4O3
Molecular Weight362.56 g/mol
Exact Mass362.33
IUPAC Name2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine
SMILESCC(CN(CC(C)OCCCN)CC(C)OCCCN)OCCCN
InChIInChI=1S/C18H42N4O3/c1-16(23-10-4-7-19)13-22(14-17(2)24-11-5-8-20)15-18(3)25-12-6-9-21/h16-18H,4-15,19-21H2,1-3H3
InChIKeyIHHBRRVRSYODAV-UHFFFAOYSA-N
XLogP0.55
TPSA108.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine?
The IUPAC name of 2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine (CID 57261654) is 2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine.
What is the SMILES notation for 2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine?
The canonical SMILES for 2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine is CC(CN(CC(C)OCCCN)CC(C)OCCCN)OCCCN.
What is the InChIKey of 2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine?
The InChIKey is IHHBRRVRSYODAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4O3/c1-16(23-10-4-7-19)13-22(14-17(2)24-11-5-8-20)15-18(3)25-12-6-9-21/h16-18H,4-15,19-21H2,1-3H3.
What are the key properties of 2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine?
2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine has a molecular weight of 362.56 g/mol, XLogP of 0.55, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-N,N-bis[2-(3-aminopropoxy)propyl]propan-1-amine is sourced from PubChem (CID 57261654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).