N,5,8-trimethylnonan-4-amine

C12H27N — CID 83047737

IUPACN,5,8-trimethylnonan-4-amine
SMILESCCCC(NC)C(C)CCC(C)C
InChIInChI=1S/C12H27N/c1-6-7-12(13-5)11(4)9-8-10(2)3/h10-13H,6-9H2,1-5H3
InChIKeyLDBZKMWWWLHTMG-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds7

About N,5,8-trimethylnonan-4-amine

N,5,8-trimethylnonan-4-amine (PubChem CID 83047737) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N,5,8-trimethylnonan-4-amine.

Molecular Properties

Compound NameN,5,8-trimethylnonan-4-amine
PubChem CID83047737
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN,5,8-trimethylnonan-4-amine
SMILESCCCC(NC)C(C)CCC(C)C
InChIInChI=1S/C12H27N/c1-6-7-12(13-5)11(4)9-8-10(2)3/h10-13H,6-9H2,1-5H3
InChIKeyLDBZKMWWWLHTMG-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,4,8,9-tetramethyldecan-5-amine
CID 123786159
N,4,8-trimethylnonan-3-amine
CID 83158813
3-methyl-4-(methylamino)heptanoic acid
CID 116953418
N,3-dimethyl-1-propan-2-ylsulfanylhexan-2-amine
CID 107896520
2-ethoxy-N-methylhexan-3-amine
CID 64534795
2-methylpentane
CID 7892
6-ethyl-2,5-dimethylnonane
CID 54499682
3-methoxy-N,2-dimethylheptan-4-amine
CID 116719993
(4S)-N,2,3-trimethylhept-1-en-4-amine
CID 174109197
N,4-dimethyl-1-pyridin-2-ylheptan-3-amine
CID 107894010
(5S,6R)-2,5,6-trimethyldecane
CID 154723790
azane;2-methylpentane
CID 87098569

Frequently Asked Questions

What is the IUPAC name of N,5,8-trimethylnonan-4-amine?
The IUPAC name of N,5,8-trimethylnonan-4-amine (CID 83047737) is N,5,8-trimethylnonan-4-amine.
What is the SMILES notation for N,5,8-trimethylnonan-4-amine?
The canonical SMILES for N,5,8-trimethylnonan-4-amine is CCCC(NC)C(C)CCC(C)C.
What is the InChIKey of N,5,8-trimethylnonan-4-amine?
The InChIKey is LDBZKMWWWLHTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-7-12(13-5)11(4)9-8-10(2)3/h10-13H,6-9H2,1-5H3.
What are the key properties of N,5,8-trimethylnonan-4-amine?
N,5,8-trimethylnonan-4-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,8-trimethylnonan-4-amine is sourced from PubChem (CID 83047737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).