1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine

C16H37N3 — CID 18364444

IUPAC1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine
SMILESCCCN(CCC)C(CCC)(CCC)CNCCN
InChIInChI=1S/C16H37N3/c1-5-9-16(10-6-2,15-18-12-11-17)19(13-7-3)14-8-4/h18H,5-15,17H2,1-4H3
InChIKeyWFZCKNIVTBCOGK-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.00
Rot. Bonds13

About 1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine

1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine (PubChem CID 18364444) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine
PubChem CID18364444
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC Name1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine
SMILESCCCN(CCC)C(CCC)(CCC)CNCCN
InChIInChI=1S/C16H37N3/c1-5-9-16(10-6-2,15-18-12-11-17)19(13-7-3)14-8-4/h18H,5-15,17H2,1-4H3
InChIKeyWFZCKNIVTBCOGK-UHFFFAOYSA-N
XLogP3.00
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine?
The IUPAC name of 1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine (CID 18364444) is 1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine?
The canonical SMILES for 1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine is CCCN(CCC)C(CCC)(CCC)CNCCN.
What is the InChIKey of 1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine?
The InChIKey is WFZCKNIVTBCOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-5-9-16(10-6-2,15-18-12-11-17)19(13-7-3)14-8-4/h18H,5-15,17H2,1-4H3.
What are the key properties of 1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine?
1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine has a molecular weight of 271.49 g/mol, XLogP of 3.00, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethyl)-2-N,2-N,2-tripropylpentane-1,2-diamine is sourced from PubChem (CID 18364444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).