N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

C15H27N — CID 114415159

IUPACN-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESC#CC(C)NC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C15H27N/c1-6-12(3)16-14-10-8-13(9-11-14)15(4,5)7-2/h1,12-14,16H,7-11H2,2-5H3
InChIKeySZNQATCKXOWZRN-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.59
Rot. Bonds4

About N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine

N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (PubChem CID 114415159) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
PubChem CID114415159
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
SMILESC#CC(C)NC1CCC(C(C)(C)CC)CC1
InChIInChI=1S/C15H27N/c1-6-12(3)16-14-10-8-13(9-11-14)15(4,5)7-2/h1,12-14,16H,7-11H2,2-5H3
InChIKeySZNQATCKXOWZRN-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.59
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

N-but-3-yn-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 114415201
4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 43778905
N-[(1R)-1-cyclopentylethyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 81396402
N-heptan-4-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43672319
N-hexan-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 43778904
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
N-(1-cyclopropylpropyl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 64917545
1-(aminomethyl)-N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 114415888
4-(but-3-yn-2-ylamino)cyclohexan-1-ol
CID 106595269
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
CID 43079522
4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 29054019
N-but-3-yn-2-ylpiperidin-4-amine
CID 114415111

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine (CID 114415159) is N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine is C#CC(C)NC1CCC(C(C)(C)CC)CC1.
What is the InChIKey of N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
The InChIKey is SZNQATCKXOWZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-6-12(3)16-14-10-8-13(9-11-14)15(4,5)7-2/h1,12-14,16H,7-11H2,2-5H3.
What are the key properties of N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine?
N-but-3-yn-2-yl-4-(2-methylbutan-2-yl)cyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.59, 4 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-4-(2-methylbutan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 114415159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).