1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine

C28H60N2 — CID 18696277

IUPAC1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine
SMILESCCN(CC)CCCCCCCCCCCCCCCCCC(C)(C)N(CC)CC
InChIInChI=1S/C28H60N2/c1-7-29(8-2)27-25-23-21-19-17-15-13-11-12-14-16-18-20-22-24-26-28(5,6)30(9-3)10-4/h7-27H2,1-6H3
InChIKeyQFORJWQWYGDYDM-UHFFFAOYSA-N
MW424.80 g/mol
LogP8.69
Rot. Bonds23

About 1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine

1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine (PubChem CID 18696277) has the molecular formula C28H60N2 and a molecular weight of 424.80 g/mol. Its IUPAC name is 1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine.

Molecular Properties

Compound Name1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine
PubChem CID18696277
Molecular FormulaC28H60N2
Molecular Weight424.80 g/mol
Exact Mass424.48
IUPAC Name1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine
SMILESCCN(CC)CCCCCCCCCCCCCCCCCC(C)(C)N(CC)CC
InChIInChI=1S/C28H60N2/c1-7-29(8-2)27-25-23-21-19-17-15-13-11-12-14-16-18-20-22-24-26-28(5,6)30(9-3)10-4/h7-27H2,1-6H3
InChIKeyQFORJWQWYGDYDM-UHFFFAOYSA-N
XLogP8.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.80
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine?
The IUPAC name of 1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine (CID 18696277) is 1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine.
What is the SMILES notation for 1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine?
The canonical SMILES for 1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine is CCN(CC)CCCCCCCCCCCCCCCCCC(C)(C)N(CC)CC.
What is the InChIKey of 1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine?
The InChIKey is QFORJWQWYGDYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N2/c1-7-29(8-2)27-25-23-21-19-17-15-13-11-12-14-16-18-20-22-24-26-28(5,6)30(9-3)10-4/h7-27H2,1-6H3.
What are the key properties of 1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine?
1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine has a molecular weight of 424.80 g/mol, XLogP of 8.69, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,18-N,18-N-tetraethyl-18-methylnonadecane-1,18-diamine is sourced from PubChem (CID 18696277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).