(2S)-N-(2,3-dimethylbutyl)hexan-2-amine

C12H27N — CID 134386655

IUPAC(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
SMILESCCCC[C@H](C)NCC(C)C(C)C
InChIInChI=1S/C12H27N/c1-6-7-8-12(5)13-9-11(4)10(2)3/h10-13H,6-9H2,1-5H3/t11?,12-/m0/s1
InChIKeySBQNNQCEGYMJHG-KIYNQFGBSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds7

About (2S)-N-(2,3-dimethylbutyl)hexan-2-amine

(2S)-N-(2,3-dimethylbutyl)hexan-2-amine (PubChem CID 134386655) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (2S)-N-(2,3-dimethylbutyl)hexan-2-amine.

Molecular Properties

Compound Name(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
PubChem CID134386655
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
SMILESCCCC[C@H](C)NCC(C)C(C)C
InChIInChI=1S/C12H27N/c1-6-7-8-12(5)13-9-11(4)10(2)3/h10-13H,6-9H2,1-5H3/t11?,12-/m0/s1
InChIKeySBQNNQCEGYMJHG-KIYNQFGBSA-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

1-N-hexan-2-ylpropane-1,2-diamine
CID 62201000
N-(2,3-dimethylbutyl)undecan-6-amine
CID 64569450
1-N-hexan-2-yl-4-methylpentane-1,2-diamine
CID 62200998
N-(3-methyl-2-pyrrolidin-1-ylbutyl)hexan-2-amine
CID 43771611
1-(heptan-2-ylamino)-3-methylpentan-2-ol
CID 115719538
1-N-hexan-2-yl-2-methylheptane-1,6-diamine
CID 65295730
1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43109334
alumane;2,3-dimethylheptane
CID 174508099
(3R)-2,3-dimethylheptane;ethane
CID 163241846
2,3-dimethylheptane;ethane
CID 156648444
1-(hexan-2-ylamino)-3-methoxypropan-2-ol
CID 63929255
2-amino-3-(hexan-2-ylamino)propanamide
CID 103248372

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,3-dimethylbutyl)hexan-2-amine?
The IUPAC name of (2S)-N-(2,3-dimethylbutyl)hexan-2-amine (CID 134386655) is (2S)-N-(2,3-dimethylbutyl)hexan-2-amine.
What is the SMILES notation for (2S)-N-(2,3-dimethylbutyl)hexan-2-amine?
The canonical SMILES for (2S)-N-(2,3-dimethylbutyl)hexan-2-amine is CCCC[C@H](C)NCC(C)C(C)C.
What is the InChIKey of (2S)-N-(2,3-dimethylbutyl)hexan-2-amine?
The InChIKey is SBQNNQCEGYMJHG-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H27N/c1-6-7-8-12(5)13-9-11(4)10(2)3/h10-13H,6-9H2,1-5H3/t11?,12-/m0/s1.
What are the key properties of (2S)-N-(2,3-dimethylbutyl)hexan-2-amine?
(2S)-N-(2,3-dimethylbutyl)hexan-2-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 (2S)-N-(2,3-dimethylbutyl)hexan-2-amine is sourced from PubChem (CID 134386655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).