2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine

C13H28N2 — CID 104682093

IUPAC2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine
SMILESCC(CCCN)CNC1(C)CCCCC1
InChIInChI=1S/C13H28N2/c1-12(7-6-10-14)11-15-13(2)8-4-3-5-9-13/h12,15H,3-11,14H2,1-2H3
InChIKeyNSWOZHCLWZXHRU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.67
Rot. Bonds6

About 2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine

2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine (PubChem CID 104682093) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine
PubChem CID104682093
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine
SMILESCC(CCCN)CNC1(C)CCCCC1
InChIInChI=1S/C13H28N2/c1-12(7-6-10-14)11-15-13(2)8-4-3-5-9-13/h12,15H,3-11,14H2,1-2H3
InChIKeyNSWOZHCLWZXHRU-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine
CID 65296202
N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135
N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine
CID 64687049
1-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 115877016
5-methoxy-1-N-(1-methylcyclopentyl)pentane-1,2-diamine
CID 81102527
N-(2-ethylhexyl)-1-methylcyclopentan-1-amine
CID 63492911
1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine
CID 174323099
2-methyl-1-N-[(1-methylcyclohexyl)methyl]heptane-1,6-diamine
CID 114094981
N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine
CID 62877519
2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
N-butyl-2-methylpentane-1,5-diamine
CID 104681936
3-[(5-amino-2-methylpentyl)amino]propanal
CID 90399797

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine?
The IUPAC name of 2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine (CID 104682093) is 2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine is CC(CCCN)CNC1(C)CCCCC1.
What is the InChIKey of 2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine?
The InChIKey is NSWOZHCLWZXHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(7-6-10-14)11-15-13(2)8-4-3-5-9-13/h12,15H,3-11,14H2,1-2H3.
What are the key properties of 2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine?
2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine is sourced from PubChem (CID 104682093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).