2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine

C14H25N — CID 103786997

IUPAC2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine
SMILESC#CCCCNC1CCC(C)(C)CC1C
InChIInChI=1S/C14H25N/c1-5-6-7-10-15-13-8-9-14(3,4)11-12(13)2/h1,12-13,15H,6-11H2,2-4H3
InChIKeyYUHJBUMZGKJSDF-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.20
Rot. Bonds4

About 2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine

2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine (PubChem CID 103786997) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine
PubChem CID103786997
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine
SMILESC#CCCCNC1CCC(C)(C)CC1C
InChIInChI=1S/C14H25N/c1-5-6-7-10-15-13-8-9-14(3,4)11-12(13)2/h1,12-13,15H,6-11H2,2-4H3
InChIKeyYUHJBUMZGKJSDF-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
N-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]propane-1-sulfonamide
CID 86799939
5-[(2,4,4-trimethylcyclohexyl)amino]pentan-2-ol
CID 107270331
2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 81300974
N-hex-5-ynyl-2-methylcyclopentan-1-amine
CID 115694131
2,4,4-trimethyl-N-(3-phenylpropyl)cyclohexan-1-amine
CID 81320617
N-(cyclopropylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 79670640
2-[(2,4,4-trimethylcyclohexyl)amino]ethanesulfonamide
CID 81320465
N-(cyclopentylmethyl)-2,4,4-trimethylcyclohexan-1-amine
CID 81321267
2,4,4-trimethyl-N-(2-phenylsulfanylethyl)cyclohexan-1-amine
CID 81320792
2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
CID 81321368
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302881

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine (CID 103786997) is 2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine is C#CCCCNC1CCC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine?
The InChIKey is YUHJBUMZGKJSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-5-6-7-10-15-13-8-9-14(3,4)11-12(13)2/h1,12-13,15H,6-11H2,2-4H3.
What are the key properties of 2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine?
2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-pent-4-ynylcyclohexan-1-amine is sourced from PubChem (CID 103786997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).