2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine

C13H23N — CID 104531274

IUPAC2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine
SMILESC#CCC(C)NC1CCC(C)CC1C
InChIInChI=1S/C13H23N/c1-5-6-12(4)14-13-8-7-10(2)9-11(13)3/h1,10-14H,6-9H2,2-4H3
InChIKeyTVEWHTYNZCHPDT-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.81
Rot. Bonds3

About 2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine

2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine (PubChem CID 104531274) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine
PubChem CID104531274
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine
SMILESC#CCC(C)NC1CCC(C)CC1C
InChIInChI=1S/C13H23N/c1-5-6-12(4)14-13-8-7-10(2)9-11(13)3/h1,10-14H,6-9H2,2-4H3
InChIKeyTVEWHTYNZCHPDT-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.81
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

3-[(2,4-dimethylcyclohexyl)amino]butan-1-ol
CID 83176423
2,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 63994492
2,4-dimethyl-N-octan-2-ylcyclohexan-1-amine
CID 63994075
2,4-dimethyl-N-prop-2-ynylcyclohexan-1-amine
CID 63993727
2,4-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 63993685
2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 64774304
2,4-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)cyclohexan-1-amine
CID 64761671
N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine
CID 81385364
2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide
CID 63995484
2-[(2,4-dimethylcyclohexyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63994705
1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine
CID 115725209
3-[(2-methylcyclopropyl)amino]butanenitrile
CID 62397925

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine (CID 104531274) is 2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine is C#CCC(C)NC1CCC(C)CC1C.
What is the InChIKey of 2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine?
The InChIKey is TVEWHTYNZCHPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-5-6-12(4)14-13-8-7-10(2)9-11(13)3/h1,10-14H,6-9H2,2-4H3.
What are the key properties of 2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine?
2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-pent-4-yn-2-ylcyclohexan-1-amine is sourced from PubChem (CID 104531274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).