N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine

C18H39N — CID 59084993

IUPACN-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine
SMILESCCCC(C)C(CNC[C@@H](C)C(C)C)CC(C)CC
InChIInChI=1S/C18H39N/c1-8-10-16(6)18(11-15(5)9-2)13-19-12-17(7)14(3)4/h14-19H,8-13H2,1-7H3/t15?,16?,17-,18?/m1/s1
InChIKeyGKHVSGOMLALCCR-QQQDYKAYSA-N
MW269.52 g/mol
LogP5.36
Rot. Bonds11

About N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine

N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine (PubChem CID 59084993) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine.

Molecular Properties

Compound NameN-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine
PubChem CID59084993
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine
SMILESCCCC(C)C(CNC[C@@H](C)C(C)C)CC(C)CC
InChIInChI=1S/C18H39N/c1-8-10-16(6)18(11-15(5)9-2)13-19-12-17(7)14(3)4/h14-19H,8-13H2,1-7H3/t15?,16?,17-,18?/m1/s1
InChIKeyGKHVSGOMLALCCR-QQQDYKAYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2,3-dimethyl-N-(2-methylbutyl)butan-1-amine
CID 59084986
N-ethyl-3-methyl-2-(2-methylpropyl)hexan-1-amine
CID 107897106
3-methyl-N,2-dipropylhexan-1-amine
CID 107897121
2,3,4-trimethyl-N-(2-methylpropyl)heptan-1-amine
CID 107889329
(5R)-2,3,5-trimethylheptane
CID 59882960
ethane;3-methyl-5-propan-2-yloctane;2,3,6,7-tetramethyl-4-pentan-3-yloctane
CID 142337955
5-(difluoromethyl)-3-methyloctane
CID 154668237
N,5-diethyl-7-methylnonan-4-amine
CID 83051953
2,3-dimethylhexane;methane;2-methylbutane;2-methylpentane;3-methylpentane
CID 157158834
4-butan-2-yl-6-ethyl-2,3,7-trimethyldecane;ethane;4-methylheptane
CID 142520741
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
5-ethyl-3,6,8-trimethyldecane
CID 173141656

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine?
The IUPAC name of N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine (CID 59084993) is N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine.
What is the SMILES notation for N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine?
The canonical SMILES for N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine is CCCC(C)C(CNC[C@@H](C)C(C)C)CC(C)CC.
What is the InChIKey of N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine?
The InChIKey is GKHVSGOMLALCCR-QQQDYKAYSA-N. The full InChI is InChI=1S/C18H39N/c1-8-10-16(6)18(11-15(5)9-2)13-19-12-17(7)14(3)4/h14-19H,8-13H2,1-7H3/t15?,16?,17-,18?/m1/s1.
What are the key properties of N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine?
N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 5.36, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2,3-dimethylbutyl]-3-methyl-2-(2-methylbutyl)hexan-1-amine is sourced from PubChem (CID 59084993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).