4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine

C13H28N2 — CID 137442853

IUPAC4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine
SMILESCC(C)NC1CCC(C)C(NC(C)C)C1
InChIInChI=1S/C13H28N2/c1-9(2)14-12-7-6-11(5)13(8-12)15-10(3)4/h9-15H,6-8H2,1-5H3
InChIKeyYXLMUTABKCIASY-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.54
Rot. Bonds4

About 4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine

4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine (PubChem CID 137442853) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine
PubChem CID137442853
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine
SMILESCC(C)NC1CCC(C)C(NC(C)C)C1
InChIInChI=1S/C13H28N2/c1-9(2)14-12-7-6-11(5)13(8-12)15-10(3)4/h9-15H,6-8H2,1-5H3
InChIKeyYXLMUTABKCIASY-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394445
(1R)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 58394376
cis-(1R,3S)-3-(propan-2-ylamino)cyclopentan-1-ol
CID 130990833
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
4-(propan-2-ylamino)cyclohexane-1,2-diol
CID 140651250
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
1-N,3-N,5-N-tri(propan-2-yl)cyclohexane-1,3,5-triamine
CID 101492125
N-[(1R)-1-cyclopentylethyl]-3,4-dimethylcyclohexan-1-amine
CID 81395850
3-(propan-2-ylamino)cycloheptan-1-ol
CID 160609920
(2S,4S)-2-methyl-N-propan-2-ylpiperidin-4-amine
CID 95913690
N-[(1S)-1-cyclobutylethyl]-2-methylcyclobutan-1-amine
CID 130662747
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine?
The IUPAC name of 4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine (CID 137442853) is 4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine.
What is the SMILES notation for 4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine?
The canonical SMILES for 4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine is CC(C)NC1CCC(C)C(NC(C)C)C1.
What is the InChIKey of 4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine?
The InChIKey is YXLMUTABKCIASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-9(2)14-12-7-6-11(5)13(8-12)15-10(3)4/h9-15H,6-8H2,1-5H3.
What are the key properties of 4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine?
4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-N,3-N-di(propan-2-yl)cyclohexane-1,3-diamine is sourced from PubChem (CID 137442853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).