1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine

C12H26N2 — CID 62847310

IUPAC1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNC1CCCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,13-3)10-14-11-8-6-4-5-7-9-11/h11,13-14H,4-10H2,1-3H3
InChIKeyRULLWWKYXQSPOZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.30
Rot. Bonds4

About 1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine

1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 62847310) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine
PubChem CID62847310
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNC1CCCCCC1
InChIInChI=1S/C12H26N2/c1-12(2,13-3)10-14-11-8-6-4-5-7-9-11/h11,13-14H,4-10H2,1-3H3
InChIKeyRULLWWKYXQSPOZ-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclohexyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847312
1-N-cyclobutyl-2-N,2-dimethylpropane-1,2-diamine
CID 62848410
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
N-(2-iodo-2-methylpropyl)cyclohexanamine
CID 121246583
1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
CID 111118556
1-N-cyclohexyl-2-cyclopropylpropane-1,2-diamine
CID 61150481
1-N-cycloheptyl-2-cyclopropylpropane-1,2-diamine
CID 61151525
1-(cyclohexylamino)-2-cyclopropylpropan-2-ol
CID 82239509
N-(2,2-difluoropropyl)cyclobutanamine
CID 84649304
1-N-cycloheptyl-2-methylpentane-1,2-diamine
CID 61149614
1-(cyclohexylamino)-2,2,4-trimethylpentan-3-ol
CID 109380064
N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine
CID 106141048

Frequently Asked Questions

What is the IUPAC name of 1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine (CID 62847310) is 1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)CNC1CCCCCC1.
What is the InChIKey of 1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is RULLWWKYXQSPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,13-3)10-14-11-8-6-4-5-7-9-11/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine?
1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 62847310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).