N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine

C19H27N3 — CID 91609349

IUPACN-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine
SMILESCCC1=CC(CCNC2CCNC2)=c2ncccc2=C(C)C1
InChIInChI=1S/C19H27N3/c1-3-15-11-14(2)18-5-4-8-22-19(18)16(12-15)6-10-21-17-7-9-20-13-17/h4-5,8,12,17,20-21H,3,6-7,9-11,13H2,1-2H3
InChIKeyUXFNFKDBZHYWIF-UHFFFAOYSA-N
MW297.45 g/mol
LogP1.48
Rot. Bonds5

About N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine

N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine (PubChem CID 91609349) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine
PubChem CID91609349
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC NameN-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine
SMILESCCC1=CC(CCNC2CCNC2)=c2ncccc2=C(C)C1
InChIInChI=1S/C19H27N3/c1-3-15-11-14(2)18-5-4-8-22-19(18)16(12-15)6-10-21-17-7-9-20-13-17/h4-5,8,12,17,20-21H,3,6-7,9-11,13H2,1-2H3
InChIKeyUXFNFKDBZHYWIF-UHFFFAOYSA-N
XLogP1.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,3a-Tetrahydropyrrolo[3,2-b]azepine
CID 67726139
N-[(1E,3Z)-2-pyrrolidin-2-ylpenta-1,3-dienyl]ethanimine
CID 141905123
3,7,9,9-Tetramethyl-3,6,7,8-tetrahydropyrido[3,4-b]azepine
CID 142152429
N'-methyl-N'-[[3-(2-methylprop-2-enyl)-4H-azepin-2-yl]methyl]butane-1,4-diamine
CID 156421023
(1E)-1-[2-(2,3-dihydropyridin-2-yl)-2H-pyridin-3-ylidene]-N-methylethanamine
CID 159782782
N-(2,4-dimethyl-1,2,3,6-tetrahydropyridin-5-yl)prop-2-en-1-imine
CID 166901468

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine (CID 91609349) is N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine is CCC1=CC(CCNC2CCNC2)=c2ncccc2=C(C)C1.
What is the InChIKey of N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is UXFNFKDBZHYWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-3-15-11-14(2)18-5-4-8-22-19(18)16(12-15)6-10-21-17-7-9-20-13-17/h4-5,8,12,17,20-21H,3,6-7,9-11,13H2,1-2H3.
What are the key properties of N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine?
N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 297.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethyl-5-methyl-6H-cyclohepta[b]pyridin-9-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 91609349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).