N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine

C16H33N — CID 114279938

IUPACN-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
SMILESCC(CCC(C)(C)C)N[C@H](C)C1CCCCC1
InChIInChI=1S/C16H33N/c1-13(11-12-16(3,4)5)17-14(2)15-9-7-6-8-10-15/h13-15,17H,6-12H2,1-5H3/t13?,14-/m1/s1
InChIKeyOYLRQZSYBYCXGX-ARLHGKGLSA-N
MW239.45 g/mol
LogP4.76
Rot. Bonds5

About N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine

N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine (PubChem CID 114279938) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
PubChem CID114279938
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC NameN-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
SMILESCC(CCC(C)(C)C)N[C@H](C)C1CCCCC1
InChIInChI=1S/C16H33N/c1-13(11-12-16(3,4)5)17-14(2)15-9-7-6-8-10-15/h13-15,17H,6-12H2,1-5H3/t13?,14-/m1/s1
InChIKeyOYLRQZSYBYCXGX-ARLHGKGLSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-cycloheptylethyl]heptan-2-amine
CID 81390133
(4R)-4-[[(1R)-1-cyclohexylethyl]amino]pentan-1-ol
CID 97051641
N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
CID 81391072
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-[(1S)-1-cyclopentylethyl]-4-methoxybutan-2-amine
CID 81385535
tert-butyl N-[2-[[(1S)-1-cyclohexylethyl]amino]propyl]carbamate
CID 103390532
N-[(1R)-1-cyclohexylethyl]-1-ethoxypropan-2-amine
CID 104866870
3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid
CID 81385050
N-[(1S)-1-cyclohexylethyl]propan-2-amine
CID 58682676
N-(1-cyclohexylethyl)-3,3-dimethylbutan-2-amine
CID 104827652
(2R)-2-(1-cyclopentylethylamino)propan-1-ol
CID 114987079
N-(1-cyclopentylethyl)-4-methylpentan-2-amine
CID 62632621

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine?
The IUPAC name of N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine (CID 114279938) is N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine.
What is the SMILES notation for N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine?
The canonical SMILES for N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine is CC(CCC(C)(C)C)N[C@H](C)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine?
The InChIKey is OYLRQZSYBYCXGX-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H33N/c1-13(11-12-16(3,4)5)17-14(2)15-9-7-6-8-10-15/h13-15,17H,6-12H2,1-5H3/t13?,14-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine?
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine has a molecular weight of 239.45 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine is sourced from PubChem (CID 114279938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).