1-N-cycloheptyl-2-methylpentane-1,2-diamine

C13H28N2 — CID 61149614

IUPAC1-N-cycloheptyl-2-methylpentane-1,2-diamine
SMILESCCCC(C)(N)CNC1CCCCCC1
InChIInChI=1S/C13H28N2/c1-3-10-13(2,14)11-15-12-8-6-4-5-7-9-12/h12,15H,3-11,14H2,1-2H3
InChIKeyGUGLEMFZCFJKEZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.82
Rot. Bonds5

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

1-N-cycloheptyl-2-methylpentane-1,2-diamine (PubChem CID 61149614) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-cycloheptyl-2-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-cycloheptyl-2-methylpentane-1,2-diamine
PubChem CID61149614
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-cycloheptyl-2-methylpentane-1,2-diamine
SMILESCCCC(C)(N)CNC1CCCCCC1
InChIInChI=1S/C13H28N2/c1-3-10-13(2,14)11-15-12-8-6-4-5-7-9-12/h12,15H,3-11,14H2,1-2H3
InChIKeyGUGLEMFZCFJKEZ-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
1-N-cyclohexyl-2-cyclopropylpropane-1,2-diamine
CID 61150481
1-N-cycloheptyl-2-cyclopropylpropane-1,2-diamine
CID 61151525
3-[(cyclododecylamino)methyl]pentan-3-ol
CID 65105202
3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
N-(2-iodo-2-methylpropyl)cyclohexanamine
CID 121246583
1-cyclopentyl-2-methylpentan-2-amine
CID 65020465
1-N-cyclohexyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847312
1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847310
1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine
CID 60853322
N-(5-chloro-2,2-dimethylpentyl)cyclohexanamine
CID 106141048
1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
CID 111118556

Frequently Asked Questions

What is the IUPAC name of 1-N-cycloheptyl-2-methylpentane-1,2-diamine?
The IUPAC name of 1-N-cycloheptyl-2-methylpentane-1,2-diamine (CID 61149614) is 1-N-cycloheptyl-2-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-cycloheptyl-2-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-cycloheptyl-2-methylpentane-1,2-diamine is CCCC(C)(N)CNC1CCCCCC1.
What is the InChIKey of 1-N-cycloheptyl-2-methylpentane-1,2-diamine?
The InChIKey is GUGLEMFZCFJKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-10-13(2,14)11-15-12-8-6-4-5-7-9-12/h12,15H,3-11,14H2,1-2H3.
What are the key properties of 1-N-cycloheptyl-2-methylpentane-1,2-diamine?
1-N-cycloheptyl-2-methylpentane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cycloheptyl-2-methylpentane-1,2-diamine is sourced from PubChem (CID 61149614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).