7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine

C15H20N2 — CID 123947233

IUPAC7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine
SMILESCC(C)C1=NC2=C(C=NC(C3CC3)C=C2)CC1
InChIInChI=1S/C15H20N2/c1-10(2)13-6-5-12-9-16-14(11-3-4-11)7-8-15(12)17-13/h7-11,14H,3-6H2,1-2H3
InChIKeyBVAHGINTJLCPEZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.55
Rot. Bonds2

About 7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine

7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine (PubChem CID 123947233) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine.

Molecular Properties

Compound Name7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine
PubChem CID123947233
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine
SMILESCC(C)C1=NC2=C(C=NC(C3CC3)C=C2)CC1
InChIInChI=1S/C15H20N2/c1-10(2)13-6-5-12-9-16-14(11-3-4-11)7-8-15(12)17-13/h7-11,14H,3-6H2,1-2H3
InChIKeyBVAHGINTJLCPEZ-UHFFFAOYSA-N
XLogP3.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethyl-2,7-dimethyl-2H-azepin-5-yl)-5-methyloct-6-en-2-imine
CID 91493860
7-(3,5-dimethyl-4,5-dihydro-3H-pyridin-2-ylidene)-2-azabicyclo[4.1.0]hepta-2,5-diene
CID 123351395
3-[(1Z)-1-cyclopropylbuta-1,3-dienyl]-2,4-dimethyl-6-methylideneazepine
CID 169680037

Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine?
The IUPAC name of 7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine (CID 123947233) is 7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine.
What is the SMILES notation for 7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine?
The canonical SMILES for 7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine is CC(C)C1=NC2=C(C=NC(C3CC3)C=C2)CC1.
What is the InChIKey of 7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine?
The InChIKey is BVAHGINTJLCPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-10(2)13-6-5-12-9-16-14(11-3-4-11)7-8-15(12)17-13/h7-11,14H,3-6H2,1-2H3.
What are the key properties of 7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine?
7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine has a molecular weight of 228.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-2-propan-2-yl-4,7-dihydro-3H-pyrido[3,2-c]azepine is sourced from PubChem (CID 123947233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).