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

C13H28N2 — CID 65233135

IUPACN'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNC1(C)CCCCC1
InChIInChI=1S/C13H28N2/c1-11(2)12(9-14)10-15-13(3)7-5-4-6-8-13/h11-12,15H,4-10,14H2,1-3H3
InChIKeyDEDWYMMADAVCLD-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.53
Rot. Bonds5

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

N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine (PubChem CID 65233135) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
PubChem CID65233135
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CNC1(C)CCCCC1
InChIInChI=1S/C13H28N2/c1-11(2)12(9-14)10-15-13(3)7-5-4-6-8-13/h11-12,15H,4-10,14H2,1-3H3
InChIKeyDEDWYMMADAVCLD-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-amino-2-(1-methylcyclononyl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 134220096
2-methyl-N-(1-methylcyclohexyl)pentane-1,5-diamine
CID 104682093
1-[[[2-(aminomethyl)-3-methylbutyl]amino]methyl]cycloheptan-1-ol
CID 107442354
N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine
CID 64687049
1-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 115877016
N'-[(1-methylsulfanylcyclohexyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 114116050
N'-(1-methylcyclohexyl)-2-phenylpropane-1,3-diamine
CID 62877519
1-methyl-N-(2-methylbut-3-ynyl)cyclobutan-1-amine
CID 174323099
2-methyl-1-N-(1-methylcyclopentyl)heptane-1,6-diamine
CID 65296202
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442883
N'-cyclopentyloxy-2-propan-2-ylpropane-1,3-diamine
CID 107442643
N-[(3-aminocyclobutyl)methyl]-1-methylcyclohexan-1-amine
CID 164652550

Frequently Asked Questions

What is the IUPAC name of N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine (CID 65233135) is N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CNC1(C)CCCCC1.
What is the InChIKey of N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is DEDWYMMADAVCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)12(9-14)10-15-13(3)7-5-4-6-8-13/h11-12,15H,4-10,14H2,1-3H3.
What are the key properties of N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine?
N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 65233135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).