13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen

C18H41N — CID 176932946

IUPAC13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
SMILESCC(C)CCCCCCCCCCCCNC(C)C.[H][H]
InChIInChI=1S/C18H39N.H2/c1-17(2)15-13-11-9-7-5-6-8-10-12-14-16-19-18(3)4;/h17-19H,5-16H2,1-4H3;1H
InChIKeyOKQYTYQZKWZKNO-UHFFFAOYSA-N
MW271.53 g/mol
LogP6.18
Rot. Bonds14

About 13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen

13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen (PubChem CID 176932946) has the molecular formula C18H41N and a molecular weight of 271.53 g/mol. Its IUPAC name is 13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen.

Molecular Properties

Compound Name13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
PubChem CID176932946
Molecular FormulaC18H41N
Molecular Weight271.53 g/mol
Exact Mass271.32
IUPAC Name13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
SMILESCC(C)CCCCCCCCCCCCNC(C)C.[H][H]
InChIInChI=1S/C18H39N.H2/c1-17(2)15-13-11-9-7-5-6-8-10-12-14-16-19-18(3)4;/h17-19H,5-16H2,1-4H3;1H
InChIKeyOKQYTYQZKWZKNO-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.53
LogP ≤ 56.18
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

5-(4-methylpentoxy)-N-propan-2-ylpentan-1-amine
CID 62457764
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486
6-methyl-N-(5-methylhexan-2-yl)heptan-1-amine
CID 170090972
N',N'-bis(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 107871319
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
2,9-dimethyldecane;2,11-dimethyldodecane;2,8-dimethylnonane;2,7-dimethyloctane;2,10-dimethylundecane
CID 161261647
2,22-dimethyltricosane
CID 58100191
N-propan-2-ylicosan-1-amine
CID 87246132
N,6-dimethylheptan-1-amine;ethane
CID 169159475
5-methyl-N-(4-methylpentan-2-yl)hexan-1-amine
CID 115324441

Frequently Asked Questions

What is the IUPAC name of 13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen?
The IUPAC name of 13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen (CID 176932946) is 13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen.
What is the SMILES notation for 13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen?
The canonical SMILES for 13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen is CC(C)CCCCCCCCCCCCNC(C)C.[H][H].
What is the InChIKey of 13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen?
The InChIKey is OKQYTYQZKWZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N.H2/c1-17(2)15-13-11-9-7-5-6-8-10-12-14-16-19-18(3)4;/h17-19H,5-16H2,1-4H3;1H.
What are the key properties of 13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen?
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen has a molecular weight of 271.53 g/mol, XLogP of 6.18, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen is sourced from PubChem (CID 176932946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).