2-cyclohexylhex-5-yn-3-amine

C12H21N — CID 18402523

IUPAC2-cyclohexylhex-5-yn-3-amine
SMILESC#CCC(N)C(C)C1CCCCC1
InChIInChI=1S/C12H21N/c1-3-7-12(13)10(2)11-8-5-4-6-9-11/h1,10-12H,4-9,13H2,2H3
InChIKeyMFUAORQBRIPMTO-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.55
Rot. Bonds3

About 2-cyclohexylhex-5-yn-3-amine

2-cyclohexylhex-5-yn-3-amine (PubChem CID 18402523) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-cyclohexylhex-5-yn-3-amine.

Molecular Properties

Compound Name2-cyclohexylhex-5-yn-3-amine
PubChem CID18402523
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-cyclohexylhex-5-yn-3-amine
SMILESC#CCC(N)C(C)C1CCCCC1
InChIInChI=1S/C12H21N/c1-3-7-12(13)10(2)11-8-5-4-6-9-11/h1,10-12H,4-9,13H2,2H3
InChIKeyMFUAORQBRIPMTO-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-cyclohexylhex-5-yn-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropylhex-5-yn-3-amine
CID 114977736
2-cyclohexylpentan-3-amine
CID 79308576
methyl (2S)-2-cyclohexylpent-4-ynoate
CID 58939028
1-cyclooctylpent-4-yn-1-amine
CID 80603767
1-(3-methylcyclohexyl)but-3-yn-1-amine
CID 62233166
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine
CID 115763360
3-cyclododecylbutan-2-ol
CID 10444334
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
2-cyclohexylpropan-1-amine;hydrochloride
CID 24837056
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382
N-(cyclohexylmethyl)pent-4-yn-2-amine
CID 115757028

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylhex-5-yn-3-amine?
The IUPAC name of 2-cyclohexylhex-5-yn-3-amine (CID 18402523) is 2-cyclohexylhex-5-yn-3-amine.
What is the SMILES notation for 2-cyclohexylhex-5-yn-3-amine?
The canonical SMILES for 2-cyclohexylhex-5-yn-3-amine is C#CCC(N)C(C)C1CCCCC1.
What is the InChIKey of 2-cyclohexylhex-5-yn-3-amine?
The InChIKey is MFUAORQBRIPMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-7-12(13)10(2)11-8-5-4-6-9-11/h1,10-12H,4-9,13H2,2H3.
What are the key properties of 2-cyclohexylhex-5-yn-3-amine?
2-cyclohexylhex-5-yn-3-amine has a molecular weight of 179.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylhex-5-yn-3-amine is sourced from PubChem (CID 18402523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).