N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine

C12H26N2O2 — CID 62562033

IUPACN'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNCCCN(CCOC)C1CC1
InChIInChI=1S/C12H26N2O2/c1-15-10-7-13-6-3-8-14(9-11-16-2)12-4-5-12/h12-13H,3-11H2,1-2H3
InChIKeyHRTRPMSOMZQELT-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.72
Rot. Bonds11

About N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine

N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine (PubChem CID 62562033) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine
PubChem CID62562033
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCNCCCN(CCOC)C1CC1
InChIInChI=1S/C12H26N2O2/c1-15-10-7-13-6-3-8-14(9-11-16-2)12-4-5-12/h12-13H,3-11H2,1-2H3
InChIKeyHRTRPMSOMZQELT-UHFFFAOYSA-N
XLogP0.72
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine (CID 62562033) is N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine is COCCNCCCN(CCOC)C1CC1.
What is the InChIKey of N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is HRTRPMSOMZQELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-15-10-7-13-6-3-8-14(9-11-16-2)12-4-5-12/h12-13H,3-11H2,1-2H3.
What are the key properties of N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine?
N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.72, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N,N'-bis(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 62562033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).