(4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine

C12H27N — CID 158122450

IUPAC(4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine
SMILESCC(C)[C@@H](C)CCCN(C)C(C)C
InChIInChI=1S/C12H27N/c1-10(2)12(5)8-7-9-13(6)11(3)4/h10-12H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyQBTFJRRTGWPZJH-LBPRGKRZSA-N
MW185.35 g/mol
LogP3.40
Rot. Bonds6

About (4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine

(4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine (PubChem CID 158122450) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is (4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name(4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine
PubChem CID158122450
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name(4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine
SMILESCC(C)[C@@H](C)CCCN(C)C(C)C
InChIInChI=1S/C12H27N/c1-10(2)12(5)8-7-9-13(6)11(3)4/h10-12H,7-9H2,1-6H3/t12-/m0/s1
InChIKeyQBTFJRRTGWPZJH-LBPRGKRZSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
3-bromo-N-methyl-N-propan-2-ylpropan-1-amine
CID 61287527
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
CID 167101459
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
N-methyl-4-[4-[methyl(propan-2-yl)amino]butoxy]-N-propan-2-ylbutan-1-amine
CID 59059943
3-methyl-6-[methyl(propan-2-yl)amino]hexanoic acid
CID 59060587
1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine
CID 138662279
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
(E)-N,9-dimethyl-N-propan-2-yldec-4-en-1-amine
CID 166767021
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine
CID 162353486

Frequently Asked Questions

What is the IUPAC name of (4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of (4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine (CID 158122450) is (4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for (4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for (4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine is CC(C)[C@@H](C)CCCN(C)C(C)C.
What is the InChIKey of (4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine?
The InChIKey is QBTFJRRTGWPZJH-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H27N/c1-10(2)12(5)8-7-9-13(6)11(3)4/h10-12H,7-9H2,1-6H3/t12-/m0/s1.
What are the key properties of (4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine?
(4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N,4,5-trimethyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 158122450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).