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

C18H28N2O — CID 103276658

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCc2cccnc2OC(C)C)C1
InChIInChI=1S/C18H28N2O/c1-13(2)21-18-17(6-5-7-20-18)12-19-11-16-9-14(3)8-15(4)10-16/h5-8,13-14,16,19H,9-12H2,1-4H3
InChIKeyAQTDQTPNQCGTAQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.95
Rot. Bonds6

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

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine (PubChem CID 103276658) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine
PubChem CID103276658
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine
SMILESCC1=CC(C)CC(CNCc2cccnc2OC(C)C)C1
InChIInChI=1S/C18H28N2O/c1-13(2)21-18-17(6-5-7-20-18)12-19-11-16-9-14(3)8-15(4)10-16/h5-8,13-14,16,19H,9-12H2,1-4H3
InChIKeyAQTDQTPNQCGTAQ-UHFFFAOYSA-N
XLogP3.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine with MolForge

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Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275983
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103276092
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 61373669
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
CID 103561785
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 62142011
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
(1R)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylethanamine
CID 103276961
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(2-propan-2-yloxy-3-pyridinyl)methanamine
CID 62742368

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine (CID 103276658) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine is CC1=CC(C)CC(CNCc2cccnc2OC(C)C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine?
The InChIKey is AQTDQTPNQCGTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-13(2)21-18-17(6-5-7-20-18)12-19-11-16-9-14(3)8-15(4)10-16/h5-8,13-14,16,19H,9-12H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine?
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine has a molecular weight of 288.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 103276658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).