1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine

C17H30N2 — CID 103276499

IUPAC1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine
SMILESCC1=CC(C)CC(CNC2CCN(C3CC3)CC2)C1
InChIInChI=1S/C17H30N2/c1-13-9-14(2)11-15(10-13)12-18-16-5-7-19(8-6-16)17-3-4-17/h9,13,15-18H,3-8,10-12H2,1-2H3
InChIKeyPFCKTBKVEHZPOW-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.20
Rot. Bonds4

About 1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine

1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine (PubChem CID 103276499) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine
PubChem CID103276499
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine
SMILESCC1=CC(C)CC(CNC2CCN(C3CC3)CC2)C1
InChIInChI=1S/C17H30N2/c1-13-9-14(2)11-15(10-13)12-18-16-5-7-19(8-6-16)17-3-4-17/h9,13,15-18H,3-8,10-12H2,1-2H3
InChIKeyPFCKTBKVEHZPOW-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.20
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

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine
CID 103276630
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 103276215
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 103276855
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122679
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,1-dioxothian-3-amine
CID 103276802
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 119036320
3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one
CID 106253467
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186
N-[(1-cyclopropylpiperidin-4-yl)methyl]cyclopropanamine
CID 83907747
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 103276638
N-(cyclopropylmethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 78921372
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 103276820

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine (CID 103276499) is 1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine is CC1=CC(C)CC(CNC2CCN(C3CC3)CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine?
The InChIKey is PFCKTBKVEHZPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13-9-14(2)11-15(10-13)12-18-16-5-7-19(8-6-16)17-3-4-17/h9,13,15-18H,3-8,10-12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine?
1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine has a molecular weight of 262.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 103276499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).