4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine

C25H54N2 — CID 88582342

IUPAC4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine
SMILESCC(N)CC(C)(C)CCCC(C)CCCC(C)CCCC(C)(C)CC(C)N
InChIInChI=1S/C25H54N2/c1-20(14-10-16-24(5,6)18-22(3)26)12-9-13-21(2)15-11-17-25(7,8)19-23(4)27/h20-23H,9-19,26-27H2,1-8H3
InChIKeyAEVDOBRRYFWTOA-UHFFFAOYSA-N
MW382.72 g/mol
LogP7.30
Rot. Bonds16

About 4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine

4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine (PubChem CID 88582342) has the molecular formula C25H54N2 and a molecular weight of 382.72 g/mol. Its IUPAC name is 4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine.

Molecular Properties

Compound Name4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine
PubChem CID88582342
Molecular FormulaC25H54N2
Molecular Weight382.72 g/mol
Exact Mass382.43
IUPAC Name4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine
SMILESCC(N)CC(C)(C)CCCC(C)CCCC(C)CCCC(C)(C)CC(C)N
InChIInChI=1S/C25H54N2/c1-20(14-10-16-24(5,6)18-22(3)26)12-9-13-21(2)15-11-17-25(7,8)19-23(4)27/h20-23H,9-19,26-27H2,1-8H3
InChIKeyAEVDOBRRYFWTOA-UHFFFAOYSA-N
XLogP7.30
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.72
LogP ≤ 57.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine?
The IUPAC name of 4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine (CID 88582342) is 4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine.
What is the SMILES notation for 4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine?
The canonical SMILES for 4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine is CC(N)CC(C)(C)CCCC(C)CCCC(C)CCCC(C)(C)CC(C)N.
What is the InChIKey of 4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine?
The InChIKey is AEVDOBRRYFWTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N2/c1-20(14-10-16-24(5,6)18-22(3)26)12-9-13-21(2)15-11-17-25(7,8)19-23(4)27/h20-23H,9-19,26-27H2,1-8H3.
What are the key properties of 4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine?
4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine has a molecular weight of 382.72 g/mol, XLogP of 7.30, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,8,12,16,16-hexamethylnonadecane-2,18-diamine is sourced from PubChem (CID 88582342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).