N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

C17H32N2 — CID 103276638

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC1=CC(C)CC(CNCC2CCN(C(C)C)C2)C1
InChIInChI=1S/C17H32N2/c1-13(2)19-6-5-16(12-19)10-18-11-17-8-14(3)7-15(4)9-17/h7,13-14,16-18H,5-6,8-12H2,1-4H3
InChIKeyJCOPIRIGBYFUHA-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.30
Rot. Bonds5

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 103276638) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID103276638
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC1=CC(C)CC(CNCC2CCN(C(C)C)C2)C1
InChIInChI=1S/C17H32N2/c1-13(2)19-6-5-16(12-19)10-18-11-17-8-14(3)7-15(4)9-17/h7,13-14,16-18H,5-6,8-12H2,1-4H3
InChIKeyJCOPIRIGBYFUHA-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.30
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]-2,3,3-trimethylbutan-1-amine
CID 103277023
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 80693739
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-(2-methylpropyl)acetamide
CID 103277041
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutan-1-ol
CID 103276887
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 103277136
1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,2-diamine
CID 146382593
2-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]prop-2-en-1-amine
CID 103277074
1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-ethylpentan-2-ol
CID 114168296
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 103277087
N'-butan-2-yl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-N'-methylethane-1,2-diamine
CID 114132609
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 79222856
1-(1-propan-2-ylpyrrolidin-3-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]methanamine
CID 62474594

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (CID 103276638) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is CC1=CC(C)CC(CNCC2CCN(C(C)C)C2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is JCOPIRIGBYFUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13(2)19-6-5-16(12-19)10-18-11-17-8-14(3)7-15(4)9-17/h7,13-14,16-18H,5-6,8-12H2,1-4H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 264.46 g/mol, XLogP of 3.30, 5 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-(1-propan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 103276638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).