N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine

C17H26N2 — CID 106652963

IUPACN-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)c1cccc(C)n1
InChIInChI=1S/C17H26N2/c1-3-13-18-17(15-10-6-4-5-7-11-15)16-12-8-9-14(2)19-16/h8-10,12,17-18H,3-7,11,13H2,1-2H3
InChIKeyFLJAKRLFODEWSK-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.32
Rot. Bonds5

About N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine

N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 106652963) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID106652963
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCCC1)c1cccc(C)n1
InChIInChI=1S/C17H26N2/c1-3-13-18-17(15-10-6-4-5-7-11-15)16-12-8-9-14(2)19-16/h8-10,12,17-18H,3-7,11,13H2,1-2H3
InChIKeyFLJAKRLFODEWSK-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.32
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

[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 106648892
N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477478
N-[(3-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656754
N-[[(1E)-cycloocten-1-yl]-(5-methylfuran-2-yl)methyl]propan-1-amine
CID 106656418
N-[cyclohepten-1-yl(thiophen-2-yl)methyl]propan-1-amine
CID 62080201
N-[cyclohexen-1-yl-(5-fluoro-2-pyridinyl)methyl]propan-1-amine
CID 106653894
N-[(2-bromo-3-methylphenyl)-(cyclohexen-1-yl)methyl]propan-1-amine
CID 107982008
N-[(3-chloro-2-fluorophenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 81264775
N-[(4-chlorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106652441
N-[[(1E)-cycloocten-1-yl]-(2-methylfuran-3-yl)methyl]propan-1-amine
CID 106654391
N-[(3-chloro-2-pyridinyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106654838
N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine
CID 62080388

Frequently Asked Questions

What is the IUPAC name of N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine (CID 106652963) is N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine is CCCNC(C1=CCCCCC1)c1cccc(C)n1.
What is the InChIKey of N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is FLJAKRLFODEWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-13-18-17(15-10-6-4-5-7-11-15)16-12-8-9-14(2)19-16/h8-10,12,17-18H,3-7,11,13H2,1-2H3.
What are the key properties of N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine?
N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohepten-1-yl-(6-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 106652963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).