1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine

C17H32N2 — CID 43761518

IUPAC1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2CCC(C)CC2)CC1
InChIInChI=1S/C17H32N2/c1-14(2)8-11-19-12-9-17(10-13-19)18-16-6-4-15(3)5-7-16/h8,15-18H,4-7,9-13H2,1-3H3
InChIKeyLAVJOKQBCLEYDJ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.59
Rot. Bonds4

About 1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine

1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine (PubChem CID 43761518) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine
PubChem CID43761518
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NC2CCC(C)CC2)CC1
InChIInChI=1S/C17H32N2/c1-14(2)8-11-19-12-9-17(10-13-19)18-16-6-4-15(3)5-7-16/h8,15-18H,4-7,9-13H2,1-3H3
InChIKeyLAVJOKQBCLEYDJ-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethyl-2,3-dimethyl-1-prop-2-enyl-1-azaspiro[5.5]undecan-4-amine
CID 20270972
2,2-Diethyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 20501096
2,2-Dimethyl-1-(3-methylbut-2-enyl)-1-azaspiro[5.5]undecan-4-amine
CID 20561179
Ethane;2-methylbut-2-ene;2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 142068096
4-methyl-N-[(E)-2-methylbut-2-enyl]cyclohexan-1-amine
CID 143682286
N-methyl-1-(2-methylpropyl)-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine
CID 176629357
N-methyl-1-propan-2-yl-N-[[4-(propan-2-ylamino)cyclohexyl]methyl]piperidin-4-amine
CID 176629509
N-ethyl-4-[(4-prop-1-en-2-ylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 178986724
methyl-(1-methylpiperidin-1-ium-4-yl)-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]azanium
CID 7074496
methyl-(1-methylpiperidin-1-ium-4-yl)-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]azanium
CID 8032789
4-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
CID 29785685
4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
CID 43178248

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine?
The IUPAC name of 1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine (CID 43761518) is 1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine.
What is the SMILES notation for 1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine?
The canonical SMILES for 1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine is CC(C)=CCN1CCC(NC2CCC(C)CC2)CC1.
What is the InChIKey of 1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine?
The InChIKey is LAVJOKQBCLEYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-14(2)8-11-19-12-9-17(10-13-19)18-16-6-4-15(3)5-7-16/h8,15-18H,4-7,9-13H2,1-3H3.
What are the key properties of 1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine?
1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine has a molecular weight of 264.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-2-enyl)-N-(4-methylcyclohexyl)piperidin-4-amine is sourced from PubChem (CID 43761518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).