1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine

C9H16N2 — CID 167223601

IUPAC1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine
SMILESCNC1=CC(N)=C(C)CCC1
InChIInChI=1S/C9H16N2/c1-7-4-3-5-8(11-2)6-9(7)10/h6,11H,3-5,10H2,1-2H3
InChIKeyIWLSMGBNULXRSJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.51
Rot. Bonds1

About 1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine

1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine (PubChem CID 167223601) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine
PubChem CID167223601
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine
SMILESCNC1=CC(N)=C(C)CCC1
InChIInChI=1S/C9H16N2/c1-7-4-3-5-8(11-2)6-9(7)10/h6,11H,3-5,10H2,1-2H3
InChIKeyIWLSMGBNULXRSJ-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine 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

(3E,5Z,7Z)-3-ethylidene-N-(2-fluoroethyl)-5,7-dimethyl-4-methylidenenona-1,5,7-trien-2-amine
CID 130349581
(3E)-2-N,4-N-dimethyl-3-(5,5,5-trifluoropentyl)penta-1,3-diene-2,4-diamine
CID 135269286
ethane;N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine
CID 145221446
1-[3-(1-aminoethenyl)-2-ethylcyclohepta-1,3,6-trien-1-yl]-N-(3-fluoropropyl)propan-2-amine
CID 166750191
(3Z)-N-propan-2-yl-3-prop-2-enylidenecyclohexen-1-amine
CID 134948808
N-methyl-7-methylidene-4-(trifluoromethyl)cyclohepta-1,3-dien-1-amine
CID 145221447
3,7-Dimethyl-1,5,6,9-tetrahydropyrido[3,2-g]quinoline
CID 19603194
2-Butyl-4-methyl-1,2-dihydropyridine
CID 45091747
4-N-[5-(diethylamino)pentan-2-yl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598920
7-(cyclohepten-1-yl)-2,3,4,5-tetrahydro-1H-azepine
CID 66818339
(3R)-2-(1-aminoethenyl)-N,3-dimethylcyclopenten-1-amine
CID 68242633
N,4-dimethylcyclohexa-1,3-dien-1-amine
CID 68394047

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine?
The IUPAC name of 1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine (CID 167223601) is 1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine?
The canonical SMILES for 1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine is CNC1=CC(N)=C(C)CCC1.
What is the InChIKey of 1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine?
The InChIKey is IWLSMGBNULXRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-4-3-5-8(11-2)6-9(7)10/h6,11H,3-5,10H2,1-2H3.
What are the key properties of 1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine?
1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethylcyclohepta-1,3-diene-1,3-diamine is sourced from PubChem (CID 167223601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).