1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine

C13H28N2 — CID 79469037

IUPAC1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine
SMILESCC(C)CN(C(C)C)C1CCCC(N)C1
InChIInChI=1S/C13H28N2/c1-10(2)9-15(11(3)4)13-7-5-6-12(14)8-13/h10-13H,5-9,14H2,1-4H3
InChIKeyNJBCGJZFLMCYCH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds4

About 1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine

1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine (PubChem CID 79469037) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine
PubChem CID79469037
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine
SMILESCC(C)CN(C(C)C)C1CCCC(N)C1
InChIInChI=1S/C13H28N2/c1-10(2)9-15(11(3)4)13-7-5-6-12(14)8-13/h10-13H,5-9,14H2,1-4H3
InChIKeyNJBCGJZFLMCYCH-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cyclopropyl-3-N-(2-methylpropyl)cyclopentane-1,3-diamine
CID 79468759
3-[[ethyl(2-methylpropyl)amino]methyl]cyclohexan-1-amine
CID 63046464
2-[(3-aminocyclopentyl)-propan-2-ylamino]acetamide
CID 79468332
3-amino-N,N-bis(2-methylpropyl)cyclohexane-1-carboxamide
CID 55134536
cis-(1S,3R)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 86328477
4-ethyl-2-N-(2-methylpropyl)-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 54999761
N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63045256
1-N-methyl-1-N-pentan-2-ylcyclohexane-1,3-diamine
CID 79467774
1-amino-3-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carboxamide
CID 79641958
(3R)-3-propan-2-ylcyclohexan-1-amine
CID 55289191
trans-(1S,2S)-2-[2-methylpropyl(propan-2-yl)amino]cyclopentan-1-ol
CID 102734588
N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 177048522

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine (CID 79469037) is 1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine is CC(C)CN(C(C)C)C1CCCC(N)C1.
What is the InChIKey of 1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine?
The InChIKey is NJBCGJZFLMCYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)9-15(11(3)4)13-7-5-6-12(14)8-13/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine?
1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine is sourced from PubChem (CID 79469037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).