N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine

C13H20N2 — CID 82452222

IUPACN-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1cc2c(nc1C)CCC2
InChIInChI=1S/C13H20N2/c1-3-7-14-9-12-8-11-5-4-6-13(11)15-10(12)2/h8,14H,3-7,9H2,1-2H3
InChIKeyPOYCILNTLSSFHN-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.38
Rot. Bonds4

About N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine

N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine (PubChem CID 82452222) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine
PubChem CID82452222
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine
SMILESCCCNCc1cc2c(nc1C)CCC2
InChIInChI=1S/C13H20N2/c1-3-7-14-9-12-8-11-5-4-6-13(11)15-10(12)2/h8,14H,3-7,9H2,1-2H3
InChIKeyPOYCILNTLSSFHN-UHFFFAOYSA-N
XLogP2.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)methanamine
CID 82452273
1-methyl-3-(propylaminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82523355
2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
CID 82415425
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-[(6-ethyl-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)methyl]propan-2-amine
CID 82452377
1-(6-ethyl-2-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-N-methylmethanamine
CID 82452375
1-ethyl-3-(propylaminomethyl)-5,6,7,8-tetrahydroquinolin-2-one
CID 82522595
N-ethyl-4-(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-1,3-thiazol-2-amine
CID 82452260
N-[(3-methyl-6,7-dihydro-5H-cyclopenta[f][1]benzofuran-2-yl)methyl]propan-1-amine
CID 81049200
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
N-[[2-(3,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83187362

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine (CID 82452222) is N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine is CCCNCc1cc2c(nc1C)CCC2.
What is the InChIKey of N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine?
The InChIKey is POYCILNTLSSFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-7-14-9-12-8-11-5-4-6-13(11)15-10(12)2/h8,14H,3-7,9H2,1-2H3.
What are the key properties of N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine?
N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 82452222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).