(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine

C12H27N — CID 166938089

IUPAC(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine
SMILESCC(C)N[C@@H](C)CCCC(C)(C)C
InChIInChI=1S/C12H27N/c1-10(2)13-11(3)8-7-9-12(4,5)6/h10-11,13H,7-9H2,1-6H3/t11-/m0/s1
InChIKeyDMWZHVKKWFSRFH-NSHDSACASA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds5

About (2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine

(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine (PubChem CID 166938089) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine.

Molecular Properties

Compound Name(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine
PubChem CID166938089
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine
SMILESCC(C)N[C@@H](C)CCCC(C)(C)C
InChIInChI=1S/C12H27N/c1-10(2)13-11(3)8-7-9-12(4,5)6/h10-11,13H,7-9H2,1-6H3/t11-/m0/s1
InChIKeyDMWZHVKKWFSRFH-NSHDSACASA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-7,7-dimethyloctan-2-amine
CID 64504249
2-methyl-6-(propan-2-ylamino)heptanoic acid
CID 65288979
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
CID 114279938
6,6-dimethyl-N-[3-(prop-2-enylideneamino)buta-1,3-dien-2-yl]heptan-2-amine
CID 89114404
2,3,7,7-tetramethyl-N-(2-methylpropyl)octan-1-amine
CID 114210654
2,2,6-trimethyloctane
CID 522006
3,4,8,8-tetramethylnonan-1-ol
CID 58843211
2,2,6,7-tetramethylundecane
CID 123602815
5,5-dimethyl-N-propan-2-ylhexan-1-amine
CID 59447580
(2R)-N-[(E)-hexan-3-ylideneamino]-6,6-dimethylheptan-2-amine
CID 172961603
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
2-(hexan-2-ylamino)-4,4-dimethylpentan-1-ol
CID 115895063

Frequently Asked Questions

What is the IUPAC name of (2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine?
The IUPAC name of (2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine (CID 166938089) is (2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine.
What is the SMILES notation for (2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine?
The canonical SMILES for (2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine is CC(C)N[C@@H](C)CCCC(C)(C)C.
What is the InChIKey of (2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine?
The InChIKey is DMWZHVKKWFSRFH-NSHDSACASA-N. The full InChI is InChI=1S/C12H27N/c1-10(2)13-11(3)8-7-9-12(4,5)6/h10-11,13H,7-9H2,1-6H3/t11-/m0/s1.
What are the key properties of (2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine?
(2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6,6-dimethyl-N-propan-2-ylheptan-2-amine is sourced from PubChem (CID 166938089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).