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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Related Compounds

CID 66694474
CID 66694474
CID 135020789
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CID 139247713
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CID 45115730
CID 45115730
CID 101917798
CID 101917798
CID 67679348
CID 67679348
CID 118941639
CID 118941639
CID 123740090
CID 123740090
CID 129169872
CID 129169872
CID 134502452
CID 134502452
CID 134502480
CID 134502480
CID 137417631
CID 137417631

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).