2,6,8-trimethyl-N-octylnonan-4-amine

C20H43N — CID 170847795

IUPAC2,6,8-trimethyl-N-octylnonan-4-amine
SMILESCCCCCCCCNC(CC(C)C)CC(C)CC(C)C
InChIInChI=1S/C20H43N/c1-7-8-9-10-11-12-13-21-20(15-18(4)5)16-19(6)14-17(2)3/h17-21H,7-16H2,1-6H3
InChIKeyAYUSCPBBRQAFAU-UHFFFAOYSA-N
MW297.57 g/mol
LogP6.42
Rot. Bonds14

About 2,6,8-trimethyl-N-octylnonan-4-amine

2,6,8-trimethyl-N-octylnonan-4-amine (PubChem CID 170847795) has the molecular formula C20H43N and a molecular weight of 297.57 g/mol. Its IUPAC name is 2,6,8-trimethyl-N-octylnonan-4-amine.

Molecular Properties

Compound Name2,6,8-trimethyl-N-octylnonan-4-amine
PubChem CID170847795
Molecular FormulaC20H43N
Molecular Weight297.57 g/mol
Exact Mass297.34
IUPAC Name2,6,8-trimethyl-N-octylnonan-4-amine
SMILESCCCCCCCCNC(CC(C)C)CC(C)CC(C)C
InChIInChI=1S/C20H43N/c1-7-8-9-10-11-12-13-21-20(15-18(4)5)16-19(6)14-17(2)3/h17-21H,7-16H2,1-6H3
InChIKeyAYUSCPBBRQAFAU-UHFFFAOYSA-N
XLogP6.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.57
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(decylamino)-4-methylpentan-1-ol
CID 98495932
(2S)-4-methyl-2-N-[(Z)-octadec-9-enyl]pentane-1,2-diamine
CID 118235407
2-(butylamino)-4-methylpentan-1-ol
CID 61246841
N-propan-2-ylicosan-1-amine
CID 87246132
(4S,6S,8S)-2,4,6,8-tetramethyltetracosane
CID 141213214
N-ethyl-2-methyldodecan-4-amine
CID 63412709
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
2,4-dimethyltetradecane
CID 53423723
(4S)-2,4-dimethylicosane
CID 134952934
N-tridecylpentadecan-3-amine
CID 88820168
N-hexan-3-ylhexan-1-amine
CID 62117591
(2S)-2-(docosylamino)-4-methylpentanoic acid
CID 102091088

Frequently Asked Questions

What is the IUPAC name of 2,6,8-trimethyl-N-octylnonan-4-amine?
The IUPAC name of 2,6,8-trimethyl-N-octylnonan-4-amine (CID 170847795) is 2,6,8-trimethyl-N-octylnonan-4-amine.
What is the SMILES notation for 2,6,8-trimethyl-N-octylnonan-4-amine?
The canonical SMILES for 2,6,8-trimethyl-N-octylnonan-4-amine is CCCCCCCCNC(CC(C)C)CC(C)CC(C)C.
What is the InChIKey of 2,6,8-trimethyl-N-octylnonan-4-amine?
The InChIKey is AYUSCPBBRQAFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H43N/c1-7-8-9-10-11-12-13-21-20(15-18(4)5)16-19(6)14-17(2)3/h17-21H,7-16H2,1-6H3.
What are the key properties of 2,6,8-trimethyl-N-octylnonan-4-amine?
2,6,8-trimethyl-N-octylnonan-4-amine has a molecular weight of 297.57 g/mol, XLogP of 6.42, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,8-trimethyl-N-octylnonan-4-amine is sourced from PubChem (CID 170847795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).