2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine

C12H21N — CID 63997318

IUPAC2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine
SMILESC#CC(C)(C)NC1CCCCC1C
InChIInChI=1S/C12H21N/c1-5-12(3,4)13-11-9-7-6-8-10(11)2/h1,10-11,13H,6-9H2,2-4H3
InChIKeyLJPRHDSJQNPVAW-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.57
Rot. Bonds2

About 2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine

2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine (PubChem CID 63997318) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine
PubChem CID63997318
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine
SMILESC#CC(C)(C)NC1CCCCC1C
InChIInChI=1S/C12H21N/c1-5-12(3,4)13-11-9-7-6-8-10(11)2/h1,10-11,13H,6-9H2,2-4H3
InChIKeyLJPRHDSJQNPVAW-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine
CID 63997716
trans-(1S,2S)-2-(2-methylbut-3-yn-2-ylamino)cyclopentan-1-ol
CID 102733511
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
N-(2-methylbut-3-yn-2-yl)thiolan-3-amine
CID 63997092
(2R)-N-tert-butyl-2-methylcyclobutan-1-amine
CID 161232093
cis-(1S,2R)-N-iodo-2-methylcyclohexan-1-amine
CID 88940989
N-[2-(4-bromophenyl)propan-2-yl]-2-methylcyclohexan-1-amine
CID 43740733
N-hex-5-ynyl-2-methylcyclopentan-1-amine
CID 115694131
2-methyl-2-[(2-methylcyclohexyl)amino]pentanoic acid
CID 61339773
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
CID 112589213
2-methyl-4-[(2-methylcyclohexyl)amino]butan-2-ol
CID 79361747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine (CID 63997318) is 2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine is C#CC(C)(C)NC1CCCCC1C.
What is the InChIKey of 2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine?
The InChIKey is LJPRHDSJQNPVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-12(3,4)13-11-9-7-6-8-10(11)2/h1,10-11,13H,6-9H2,2-4H3.
What are the key properties of 2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine?
2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylbut-3-yn-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 63997318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).