N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine

C16H28N2 — CID 64733626

IUPACN-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NC2CC(C)CC(C)C2)CC1
InChIInChI=1S/C16H28N2/c1-4-7-18-8-5-15(6-9-18)17-16-11-13(2)10-14(3)12-16/h1,13-17H,5-12H2,2-3H3
InChIKeyDRSHPMADOUMHMI-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.50
Rot. Bonds3

About N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine

N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 64733626) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID64733626
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NC2CC(C)CC(C)C2)CC1
InChIInChI=1S/C16H28N2/c1-4-7-18-8-5-15(6-9-18)17-16-11-13(2)10-14(3)12-16/h1,13-17H,5-12H2,2-3H3
InChIKeyDRSHPMADOUMHMI-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
CID 43775828
1,2-dimethyl-N-(1-prop-2-ynylpiperidin-4-yl)piperidin-4-amine
CID 81343454
1-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43791036
1-(cyclopropylmethyl)-N-(3-methylcyclobutyl)piperidin-4-amine
CID 115901408
N-methyl-2-[4-[(1-prop-2-ynylpiperidin-4-yl)amino]piperidin-1-yl]acetamide
CID 43782791
1-(3-methylbut-2-enyl)-N-(3-methylcyclobutyl)piperidin-4-amine
CID 115892408
1-(2-methoxyethyl)-N-(3-methylcyclobutyl)piperidin-4-amine
CID 115892313
2-[4-[(3-methylcyclobutyl)amino]piperidin-1-yl]acetamide
CID 104859652
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638
N-but-2-ynyl-1-prop-2-ynylpiperidin-4-amine
CID 115896868
1-cyclopropyl-N-(3-methylcyclobutyl)piperidin-4-amine
CID 104859642
N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 115719159

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine (CID 64733626) is N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NC2CC(C)CC(C)C2)CC1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is DRSHPMADOUMHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-7-18-8-5-15(6-9-18)17-16-11-13(2)10-14(3)12-16/h1,13-17H,5-12H2,2-3H3.
What are the key properties of N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine?
N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 248.41 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 64733626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).