N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide

C15H21N3 — CID 123139166

IUPACN',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide
SMILESC/N=C(\N)C1=C(C)C(C)CC=C2C=CC(C)=CN21
InChIInChI=1S/C15H21N3/c1-10-5-7-13-8-6-11(2)12(3)14(15(16)17-4)18(13)9-10/h5,7-9,11H,6H2,1-4H3,(H2,16,17)
InChIKeyCDYCTHDRQXADTQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.95
Rot. Bonds1

About N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide

N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide (PubChem CID 123139166) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide.

Molecular Properties

Compound NameN',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide
PubChem CID123139166
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide
SMILESC/N=C(\N)C1=C(C)C(C)CC=C2C=CC(C)=CN21
InChIInChI=1S/C15H21N3/c1-10-5-7-13-8-6-11(2)12(3)14(15(16)17-4)18(13)9-10/h5,7-9,11H,6H2,1-4H3,(H2,16,17)
InChIKeyCDYCTHDRQXADTQ-UHFFFAOYSA-N
XLogP2.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 123804231
(2E)-7-N-ethynyl-7-N,5,6-trimethyl-4,5-dihydroazocine-7,8-diamine
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4-Imino-2-pentan-3-ylpyrido[1,2-a]pyrimidin-9-amine
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Frequently Asked Questions

What is the IUPAC name of N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide?
The IUPAC name of N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide (CID 123139166) is N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide.
What is the SMILES notation for N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide?
The canonical SMILES for N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide is C/N=C(\N)C1=C(C)C(C)CC=C2C=CC(C)=CN21.
What is the InChIKey of N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide?
The InChIKey is CDYCTHDRQXADTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-5-7-13-8-6-11(2)12(3)14(15(16)17-4)18(13)9-10/h5,7-9,11H,6H2,1-4H3,(H2,16,17).
What are the key properties of N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide?
N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide has a molecular weight of 243.35 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,7,8-tetramethyl-8,9-dihydropyrido[1,2-a]azepine-6-carboximidamide is sourced from PubChem (CID 123139166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).