1-N,2-N-dimethylcycloheptane-1,2-diamine

C9H20N2 — CID 20652987

IUPAC1-N,2-N-dimethylcycloheptane-1,2-diamine
SMILESCNC1CCCCCC1NC
InChIInChI=1S/C9H20N2/c1-10-8-6-4-3-5-7-9(8)11-2/h8-11H,3-7H2,1-2H3
InChIKeyQUPDBRZMWUTFCJ-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.13
Rot. Bonds2

About 1-N,2-N-dimethylcycloheptane-1,2-diamine

1-N,2-N-dimethylcycloheptane-1,2-diamine (PubChem CID 20652987) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N,2-N-dimethylcycloheptane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethylcycloheptane-1,2-diamine
PubChem CID20652987
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N,2-N-dimethylcycloheptane-1,2-diamine
SMILESCNC1CCCCCC1NC
InChIInChI=1S/C9H20N2/c1-10-8-6-4-3-5-7-9(8)11-2/h8-11H,3-7H2,1-2H3
InChIKeyQUPDBRZMWUTFCJ-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471
trans-(1R,2R)-1-N,2-N-dimethylcyclopentane-1,2-diamine
CID 129406607
2-(methylamino)cycloheptane-1-thiol
CID 59815948
cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260
cis-(1R,2S)-2-N-methylcyclohexane-1,2-diamine
CID 55284519
N-methylcyclohexanamine
CID 7514
N-methylcyclotetradecanamine
CID 59468246
cis-(1R,2S)-2-fluoro-N-methylcyclohexan-1-amine;hydrochloride
CID 164886232
2-N,2-N-diethyl-1-N-methylcyclododecane-1,2-diamine
CID 63466542
trans-(1S,2S)-N-methyl-2-piperidin-1-ylcyclohexan-1-amine
CID 70351898
N-methylcyclohexanamine;dihydrochloride
CID 140514199
cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine
CID 124508979

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethylcycloheptane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethylcycloheptane-1,2-diamine (CID 20652987) is 1-N,2-N-dimethylcycloheptane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethylcycloheptane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethylcycloheptane-1,2-diamine is CNC1CCCCCC1NC.
What is the InChIKey of 1-N,2-N-dimethylcycloheptane-1,2-diamine?
The InChIKey is QUPDBRZMWUTFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-10-8-6-4-3-5-7-9(8)11-2/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-N,2-N-dimethylcycloheptane-1,2-diamine?
1-N,2-N-dimethylcycloheptane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethylcycloheptane-1,2-diamine is sourced from PubChem (CID 20652987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).