1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C13H26N2 — CID 106653532

IUPAC1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)C(N)C1=CCCCCC1
InChIInChI=1S/C13H26N2/c1-13(2,15(3)4)12(14)11-9-7-5-6-8-10-11/h9,12H,5-8,10,14H2,1-4H3
InChIKeyYERPIDIROOKOGI-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.54
Rot. Bonds3

About 1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 106653532) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID106653532
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)C(N)C1=CCCCCC1
InChIInChI=1S/C13H26N2/c1-13(2,15(3)4)12(14)11-9-7-5-6-8-10-11/h9,12H,5-8,10,14H2,1-4H3
InChIKeyYERPIDIROOKOGI-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-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

1-(cyclohepten-1-yl)-2-N,2-N-diethyl-2-methylpropane-1,2-diamine
CID 106653542
1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106653620
[1-(cyclohepten-1-yl)-2,2-dimethylpropyl]hydrazine
CID 106648666
1-[(1S,2R)-1-tert-butyl-2-(cyclohexen-1-yl)-3,3-dimethylbutyl]cyclohexene
CID 6432601
1-[(3R,4R)-4-(cyclohexen-1-yl)-2,2,5,5-tetramethylhexan-3-yl]cyclohexene
CID 11141195
1-[amino(cyclohepten-1-yl)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 106653714
2-amino-1-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 130589356
1-(1-iodoethyl)cyclohexene
CID 126621262
1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 106657502
1-(cycloocten-1-yl)-3-methylbutan-1-amine
CID 106652467
2-(cycloocten-1-yl)-2-hydrazinyl-N,N-dimethylethanamine
CID 106649237
1-(cyclohexen-1-yl)-1-(dimethylamino)propan-2-one
CID 69048522

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 106653532) is 1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)C(N)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is YERPIDIROOKOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2,15(3)4)12(14)11-9-7-5-6-8-10-11/h9,12H,5-8,10,14H2,1-4H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 106653532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).