(3S)-3-benzyl-4,4-dimethylhexan-1-amine

C15H25N — CID 71001493

IUPAC(3S)-3-benzyl-4,4-dimethylhexan-1-amine
SMILESCCC(C)(C)[C@H](CCN)Cc1ccccc1
InChIInChI=1S/C15H25N/c1-4-15(2,3)14(10-11-16)12-13-8-6-5-7-9-13/h5-9,14H,4,10-12,16H2,1-3H3/t14-/m1/s1
InChIKeyUXLSICWYEZCYGK-CQSZACIVSA-N
MW219.37 g/mol
LogP3.63
Rot. Bonds6

About (3S)-3-benzyl-4,4-dimethylhexan-1-amine

(3S)-3-benzyl-4,4-dimethylhexan-1-amine (PubChem CID 71001493) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (3S)-3-benzyl-4,4-dimethylhexan-1-amine.

Molecular Properties

Compound Name(3S)-3-benzyl-4,4-dimethylhexan-1-amine
PubChem CID71001493
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(3S)-3-benzyl-4,4-dimethylhexan-1-amine
SMILESCCC(C)(C)[C@H](CCN)Cc1ccccc1
InChIInChI=1S/C15H25N/c1-4-15(2,3)14(10-11-16)12-13-8-6-5-7-9-13/h5-9,14H,4,10-12,16H2,1-3H3/t14-/m1/s1
InChIKeyUXLSICWYEZCYGK-CQSZACIVSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3,3-dimethylpentyl)benzene
CID 63529714
3-benzyl-2-methylheptan-2-amine;hydrochloride
CID 173427146
4-amino-1-phenylbutane-2-thiol
CID 87625270
3-benzyl-2-methyltridecan-2-amine
CID 11153328
(2-ethyl-3,3-difluoropentyl)benzene
CID 171834492
3-benzyl-2-methylheptadecan-2-amine;hydrate;hydrochloride
CID 173297757
(2S)-2-benzyl-3,3-dimethylbutan-1-ol
CID 11805570
2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide
CID 173157634
3-benzyl-2,2-dimethyl-4-phenylbutanamide
CID 175211278
(2-ethyl-3,3-difluoropentyl)benzene;propane
CID 171834491
2-(2-chloropropan-2-yl)tridecylbenzene
CID 175479853
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-4,4-dimethylhexan-1-amine?
The IUPAC name of (3S)-3-benzyl-4,4-dimethylhexan-1-amine (CID 71001493) is (3S)-3-benzyl-4,4-dimethylhexan-1-amine.
What is the SMILES notation for (3S)-3-benzyl-4,4-dimethylhexan-1-amine?
The canonical SMILES for (3S)-3-benzyl-4,4-dimethylhexan-1-amine is CCC(C)(C)[C@H](CCN)Cc1ccccc1.
What is the InChIKey of (3S)-3-benzyl-4,4-dimethylhexan-1-amine?
The InChIKey is UXLSICWYEZCYGK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N/c1-4-15(2,3)14(10-11-16)12-13-8-6-5-7-9-13/h5-9,14H,4,10-12,16H2,1-3H3/t14-/m1/s1.
What are the key properties of (3S)-3-benzyl-4,4-dimethylhexan-1-amine?
(3S)-3-benzyl-4,4-dimethylhexan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-4,4-dimethylhexan-1-amine is sourced from PubChem (CID 71001493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).