N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine

C13H28N2 — CID 107449565

IUPACN'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine
SMILESCC(C)C1CCCC(N(C)CCCN)C1
InChIInChI=1S/C13H28N2/c1-11(2)12-6-4-7-13(10-12)15(3)9-5-8-14/h11-13H,4-10,14H2,1-3H3
InChIKeyAGYXVNUXYVMNRV-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds5

About N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine

N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine (PubChem CID 107449565) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine
PubChem CID107449565
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine
SMILESCC(C)C1CCCC(N(C)CCCN)C1
InChIInChI=1S/C13H28N2/c1-11(2)12-6-4-7-13(10-12)15(3)9-5-8-14/h11-13H,4-10,14H2,1-3H3
InChIKeyAGYXVNUXYVMNRV-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(4-propan-2-ylcycloheptyl)propane-1,3-diamine
CID 115318671
N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine
CID 115318806
N'-methyl-N'-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propane-1,3-diamine
CID 115318700
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 63451987
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
N'-cyclopropyl-N'-methylhexane-1,6-diamine
CID 43265095
N'-methyl-N'-(3-methylsulfonylcyclohexyl)pentane-1,5-diamine
CID 107207165
4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 107449539
N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 177048522
4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine
CID 107449541
1-N-[3-(dimethylamino)propyl]-1-N-methylcyclohexane-1,3-diamine
CID 79469197
5-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methylpentanamide
CID 113441005

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine (CID 107449565) is N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine is CC(C)C1CCCC(N(C)CCCN)C1.
What is the InChIKey of N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine?
The InChIKey is AGYXVNUXYVMNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)12-6-4-7-13(10-12)15(3)9-5-8-14/h11-13H,4-10,14H2,1-3H3.
What are the key properties of N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine?
N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 107449565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).