(7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine

C15H20N2 — CID 91524962

IUPAC(7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine
SMILESCCC(C)C1=CC=c2c(CN)ccnc2=CC1
InChIInChI=1S/C15H20N2/c1-3-11(2)12-4-6-14-13(10-16)8-9-17-15(14)7-5-12/h4,6-9,11H,3,5,10,16H2,1-2H3
InChIKeyYRGOKNAENHPSIQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.48
Rot. Bonds3

About (7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine

(7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine (PubChem CID 91524962) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine.

Molecular Properties

Compound Name(7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine
PubChem CID91524962
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine
SMILESCCC(C)C1=CC=c2c(CN)ccnc2=CC1
InChIInChI=1S/C15H20N2/c1-3-11(2)12-4-6-14-13(10-16)8-9-17-15(14)7-5-12/h4,6-9,11H,3,5,10,16H2,1-2H3
InChIKeyYRGOKNAENHPSIQ-UHFFFAOYSA-N
XLogP1.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
CID 88870663
CID 88870663
3-(ethylideneamino)-N,7-dimethyl-4-methylidenecyclohept-2-en-1-amine
CID 89503466
[3-(3-Methylbut-2-enylidene)-2-propylidene-4-pyridinyl]methanamine
CID 90974862
2,3-Di(ethylidene)-4-propan-2-ylpyridine
CID 91324852
[5-(4H-azepin-2-yl)cyclohepten-1-yl]methanamine
CID 123138434
N'-(6,8,9-trimethyldeca-2,4-dien-4-yl)ethane-1,2-diimine
CID 123315279
N-[(2E)-7-(3,4-dihydropyridin-6-yl)-3,4-dimethyl-6-prop-1-enyldeca-2,6,9-trien-2-yl]ethanimine
CID 123899882
4-[[[(E)-3-(4-aminocyclohexa-1,3-dien-1-yl)prop-2-enylidene]amino]methyl]-6-methylcyclohexa-1,3-dien-1-amine
CID 129254493
(3Z,4E)-3-(aminomethylidene)-4-[(4S)-4-methyl-3,4-dihydroazepin-2-ylidene]cyclohexa-1,5-dien-1-amine
CID 137417631
(2E,3Z)-3-(3-ethylhexylidene)-2-prop-2-enylidenepyridine
CID 137505173
2-Ethyl-3-(ethylideneamino)-4-methylcyclohexa-1,5-dien-1-amine
CID 139334574

Frequently Asked Questions

What is the IUPAC name of (7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine?
The IUPAC name of (7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine (CID 91524962) is (7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine.
What is the SMILES notation for (7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine?
The canonical SMILES for (7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine is CCC(C)C1=CC=c2c(CN)ccnc2=CC1.
What is the InChIKey of (7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine?
The InChIKey is YRGOKNAENHPSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-11(2)12-4-6-14-13(10-16)8-9-17-15(14)7-5-12/h4,6-9,11H,3,5,10,16H2,1-2H3.
What are the key properties of (7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine?
(7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine has a molecular weight of 228.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-butan-2-yl-8H-cyclohepta[b]pyridin-4-yl)methanamine is sourced from PubChem (CID 91524962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).