N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine

C15H24N2O — CID 154939627

IUPACN-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine
SMILESCOC1NC=C(CNC(C)C)C2=C1C=CCCC2
InChIInChI=1S/C15H24N2O/c1-11(2)16-9-12-10-17-15(18-3)14-8-6-4-5-7-13(12)14/h6,8,10-11,15-17H,4-5,7,9H2,1-3H3
InChIKeyANNJNBPYVWRXSX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.48
Rot. Bonds4

About N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine

N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine (PubChem CID 154939627) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine
PubChem CID154939627
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine
SMILESCOC1NC=C(CNC(C)C)C2=C1C=CCCC2
InChIInChI=1S/C15H24N2O/c1-11(2)16-9-12-10-17-15(18-3)14-8-6-4-5-7-13(12)14/h6,8,10-11,15-17H,4-5,7,9H2,1-3H3
InChIKeyANNJNBPYVWRXSX-UHFFFAOYSA-N
XLogP2.48
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine with MolForge

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Related Compounds

(1Z,3Z)-N-methyl-N'-(5-methylundeca-2,4-dien-6-yl)buta-1,3-diene-1,4-diamine;1-prop-2-enoxybut-2-ene
CID 91314549
(2S)-N-methyl-1-(5-propan-2-yloxy-1,2-dihydropyridin-3-yl)pentan-2-amine
CID 143826661
(5Z)-2-[(E)-6-methoxy-4-methylhex-4-enyl]-6,6-dimethyl-5-prop-2-enylidene-1,2-dihydropyridine
CID 164136672
2-[(3E,4E)-3-ethylidene-4-(2-methoxyethylidene)-1,2-dihydropyridin-5-yl]-N,N-dimethylethanamine
CID 170396915
N-(3,6-dihydro-2H-pyran-5-ylmethyl)oct-7-en-2-amine
CID 115897980
N-(3,6-dihydro-2H-pyran-5-ylmethyl)hept-6-en-2-amine
CID 115908913
(2E,4Z)-N-[(4Z)-4-ethenylhepta-4,6-dienyl]-1-methoxy-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 141814800
2-(2-methoxy-4-methyl-1,2-dihydropyridin-5-yl)-N,N-dimethylethanamine
CID 158476464

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine (CID 154939627) is N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine is COC1NC=C(CNC(C)C)C2=C1C=CCCC2.
What is the InChIKey of N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine?
The InChIKey is ANNJNBPYVWRXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)16-9-12-10-17-15(18-3)14-8-6-4-5-7-13(12)14/h6,8,10-11,15-17H,4-5,7,9H2,1-3H3.
What are the key properties of N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine?
N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxy-2,5,6,7-tetrahydro-1H-cyclohepta[c]pyridin-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 154939627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).