2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

C16H33N — CID 83159223

IUPAC2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)(CC1CCCCC1)C(C)C
InChIInChI=1S/C16H33N/c1-13(2)16(5,12-17-14(3)4)11-15-9-7-6-8-10-15/h13-15,17H,6-12H2,1-5H3
InChIKeyYGQFOWUUJAHKTG-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds6

About 2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine

2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 83159223) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID83159223
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCC(C)(CC1CCCCC1)C(C)C
InChIInChI=1S/C16H33N/c1-13(2)16(5,12-17-14(3)4)11-15-9-7-6-8-10-15/h13-15,17H,6-12H2,1-5H3
InChIKeyYGQFOWUUJAHKTG-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopentylmethyl)-2,3-dimethylbutan-1-amine
CID 83159555
3-cyclohexyl-2-cyclopropyl-2-methyl-N-propan-2-ylpropan-1-amine
CID 83159871
2-(cyclopentylmethyl)-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641015
(2-ethyl-2,3-dimethylbutyl)cyclobutane
CID 123708911
3-(cyclopentylmethoxy)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 79627805
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
2-cyclopropyl-2,4-dimethyl-N-propan-2-ylpentan-1-amine
CID 83159690
N-(2-cyclopentylethyl)propan-2-amine;molecular hydrogen
CID 165122655
CID 22399719
CID 22399719
2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 83150962
2-cyclopropyl-2,5,5-trimethyl-N-propan-2-ylhexan-1-amine
CID 83160149
1-cyclohexyl-2-methylpropan-2-ol;ethane
CID 91251798

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine (CID 83159223) is 2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is CC(C)NCC(C)(CC1CCCCC1)C(C)C.
What is the InChIKey of 2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is YGQFOWUUJAHKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-13(2)16(5,12-17-14(3)4)11-15-9-7-6-8-10-15/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine?
2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 83159223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).