5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine

C19H43N3 — CID 21469944

IUPAC5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine
SMILESCCCC(NCCN)C(CCC)(CCC)N(CCC)CCC
InChIInChI=1S/C19H43N3/c1-6-11-18(21-15-14-20)19(12-7-2,13-8-3)22(16-9-4)17-10-5/h18,21H,6-17,20H2,1-5H3
InChIKeyCWAZBTXMWPIBMI-UHFFFAOYSA-N
MW313.57 g/mol
LogP4.16
Rot. Bonds15

About 5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine

5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine (PubChem CID 21469944) has the molecular formula C19H43N3 and a molecular weight of 313.57 g/mol. Its IUPAC name is 5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine
PubChem CID21469944
Molecular FormulaC19H43N3
Molecular Weight313.57 g/mol
Exact Mass313.35
IUPAC Name5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine
SMILESCCCC(NCCN)C(CCC)(CCC)N(CCC)CCC
InChIInChI=1S/C19H43N3/c1-6-11-18(21-15-14-20)19(12-7-2,13-8-3)22(16-9-4)17-10-5/h18,21H,6-17,20H2,1-5H3
InChIKeyCWAZBTXMWPIBMI-UHFFFAOYSA-N
XLogP4.16
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine?
The IUPAC name of 5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine (CID 21469944) is 5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine.
What is the SMILES notation for 5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine?
The canonical SMILES for 5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine is CCCC(NCCN)C(CCC)(CCC)N(CCC)CCC.
What is the InChIKey of 5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine?
The InChIKey is CWAZBTXMWPIBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43N3/c1-6-11-18(21-15-14-20)19(12-7-2,13-8-3)22(16-9-4)17-10-5/h18,21H,6-17,20H2,1-5H3.
What are the key properties of 5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine?
5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine has a molecular weight of 313.57 g/mol, XLogP of 4.16, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-aminoethyl)-4-N,4-N,4-tripropyloctane-4,5-diamine is sourced from PubChem (CID 21469944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).