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

C16H30N2 — CID 103276630

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCC2CC(C)=CC(C)C2)CC1
InChIInChI=1S/C16H30N2/c1-4-18-7-5-16(6-8-18)17-12-15-10-13(2)9-14(3)11-15/h9,13,15-17H,4-8,10-12H2,1-3H3
InChIKeyYURVKRRALHKTPR-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.05
Rot. Bonds4

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

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine (PubChem CID 103276630) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine
PubChem CID103276630
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine
SMILESCCN1CCC(NCC2CC(C)=CC(C)C2)CC1
InChIInChI=1S/C16H30N2/c1-4-18-7-5-16(6-8-18)17-12-15-10-13(2)9-14(3)11-15/h9,13,15-17H,4-8,10-12H2,1-3H3
InChIKeyYURVKRRALHKTPR-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.05
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

1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine
CID 103276499
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 103276215
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122679
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]-1-pyridin-2-ylpyrrolidin-3-amine
CID 119036320
3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one
CID 106253467
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,1-dioxothian-3-amine
CID 103276802
N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 125447400
N-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561823

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine (CID 103276630) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine is CCN1CCC(NCC2CC(C)=CC(C)C2)CC1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine?
The InChIKey is YURVKRRALHKTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-4-18-7-5-16(6-8-18)17-12-15-10-13(2)9-14(3)11-15/h9,13,15-17H,4-8,10-12H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine has a molecular weight of 250.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine is sourced from PubChem (CID 103276630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).