N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine

C16H27N — CID 114414930

IUPACN-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine
SMILESC#CC(C)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C16H27N/c1-3-13(2)17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h1,13-17H,4-12H2,2H3
InChIKeyDAFKIBXASNYUJU-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.74
Rot. Bonds3

About N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine

N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine (PubChem CID 114414930) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine
PubChem CID114414930
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine
SMILESC#CC(C)NC1CCCCC1C1CCCCC1
InChIInChI=1S/C16H27N/c1-3-13(2)17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h1,13-17H,4-12H2,2H3
InChIKeyDAFKIBXASNYUJU-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.74
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-[(2-cyclohexylcyclohexyl)amino]propan-1-ol
CID 43776368
2-cyclohexyl-N-(dicyclopropylmethyl)cyclohexan-1-amine
CID 43768530
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
2-[(2-cyclohexylcyclohexyl)amino]propane-1,3-diol
CID 65313032
3-[(2-cyclohexylcyclohexyl)amino]pentanenitrile
CID 62646058
2-cyclohexyl-N-[(1S)-1-thiophen-2-ylethyl]cyclohexan-1-amine
CID 81398668
(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
CID 113349396
1-[(2R)-but-3-yn-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 141003343
N-(2-cyclotridecylcycloheptyl)cyclotridecanamine
CID 156542642
2-cyclohexyl-N-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 63452484
3-[(2-cyclohexylcyclohexyl)amino]-4,4-dimethylpentan-1-ol
CID 106348908
N-(2-cyclononylcyclopentyl)cyclododecanamine
CID 146530332

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine?
The IUPAC name of N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine (CID 114414930) is N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine.
What is the SMILES notation for N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine?
The canonical SMILES for N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine is C#CC(C)NC1CCCCC1C1CCCCC1.
What is the InChIKey of N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine?
The InChIKey is DAFKIBXASNYUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-13(2)17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h1,13-17H,4-12H2,2H3.
What are the key properties of N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine?
N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-cyclohexylcyclohexan-1-amine is sourced from PubChem (CID 114414930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).