N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine

C15H21N3 — CID 136955213

IUPACN-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine
SMILESCNCCC/N=C1\C=CNC2=CC(C)=CC=CC21
InChIInChI=1S/C15H21N3/c1-12-5-3-6-13-14(17-9-4-8-16-2)7-10-18-15(13)11-12/h3,5-7,10-11,13,16,18H,4,8-9H2,1-2H3/b17-14+
InChIKeyWAODDDNQMSXCTL-SAPNQHFASA-N
MW243.35 g/mol
LogP2.17
Rot. Bonds4

About N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine

N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine (PubChem CID 136955213) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine
PubChem CID136955213
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine
SMILESCNCCC/N=C1\C=CNC2=CC(C)=CC=CC21
InChIInChI=1S/C15H21N3/c1-12-5-3-6-13-14(17-9-4-8-16-2)7-10-18-15(13)11-12/h3,5-7,10-11,13,16,18H,4,8-9H2,1-2H3/b17-14+
InChIKeyWAODDDNQMSXCTL-SAPNQHFASA-N
XLogP2.17
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine?
The IUPAC name of N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine (CID 136955213) is N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine.
What is the SMILES notation for N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine?
The canonical SMILES for N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine is CNCCC/N=C1\C=CNC2=CC(C)=CC=CC21.
What is the InChIKey of N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine?
The InChIKey is WAODDDNQMSXCTL-SAPNQHFASA-N. The full InChI is InChI=1S/C15H21N3/c1-12-5-3-6-13-14(17-9-4-8-16-2)7-10-18-15(13)11-12/h3,5-7,10-11,13,16,18H,4,8-9H2,1-2H3/b17-14+.
What are the key properties of N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine?
N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(8-methyl-1,4a-dihydrocyclohepta[b]pyridin-4-ylidene)amino]propan-1-amine is sourced from PubChem (CID 136955213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).