N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine

C13H28N2 — CID 107441063

IUPACN'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNC1CCCCC1C
InChIInChI=1S/C13H28N2/c1-10(2)12(8-14)9-15-13-7-5-4-6-11(13)3/h10-13,15H,4-9,14H2,1-3H3
InChIKeySAELXXPZNUYRHV-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.39
Rot. Bonds5

About N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine

N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107441063) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID107441063
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNC1CCCCC1C
InChIInChI=1S/C13H28N2/c1-10(2)12(8-14)9-15-13-7-5-4-6-11(13)3/h10-13,15H,4-9,14H2,1-3H3
InChIKeySAELXXPZNUYRHV-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,3-trimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 43205442
(2R)-1-[[(1R,2R)-2-methylcyclopentyl]amino]propan-2-ol
CID 95377482
(2S)-1-[(2-methylcyclopentyl)amino]propan-2-ol
CID 103884041
methyl (2R)-2-methyl-3-[[(1R,2R)-2-methylcyclohexyl]amino]propanoate
CID 93035087
N'-(3-methylcyclopentyl)-2-propan-2-ylpropane-1,3-diamine
CID 114547307
2-[[(2-methylcyclohexyl)amino]methyl]propanedinitrile
CID 172761709
N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine
CID 107442643
2-N,2-N-diethyl-1-N-(2-methylcyclopentyl)propane-1,2-diamine
CID 115688826
3-[(2-methylcycloheptyl)amino]propane-1,2-diol
CID 77073747
trans-(1R,2R)-1-N,2-N-bis[(2S)-2-amino-3-methylbutyl]cyclohexane-1,2-diamine
CID 11637771
N'-hydroxy-2-methyl-3-[(2-methylcyclopentyl)amino]propanimidamide
CID 77028700
N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine
CID 107442737

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine (CID 107441063) is N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNC1CCCCC1C.
What is the InChIKey of N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is SAELXXPZNUYRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)12(8-14)9-15-13-7-5-4-6-11(13)3/h10-13,15H,4-9,14H2,1-3H3.
What are the key properties of N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107441063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).