4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine

C13H28N2 — CID 43269484

IUPAC4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine
SMILESCCCN(C(C)C)C1CC(C)CCC1N
InChIInChI=1S/C13H28N2/c1-5-8-15(10(2)3)13-9-11(4)6-7-12(13)14/h10-13H,5-9,14H2,1-4H3
InChIKeyGMLJDJIXOXESJF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.62
Rot. Bonds4

About 4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine

4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine (PubChem CID 43269484) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine
PubChem CID43269484
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine
SMILESCCCN(C(C)C)C1CC(C)CCC1N
InChIInChI=1S/C13H28N2/c1-5-8-15(10(2)3)13-9-11(4)6-7-12(13)14/h10-13H,5-9,14H2,1-4H3
InChIKeyGMLJDJIXOXESJF-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

2-N-propan-2-yl-2-N,4-dipropylcyclohexane-1,2-diamine
CID 54932445
2-N-propan-2-yl-2-N-propylcyclododecane-1,2-diamine
CID 43269481
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-4-methylcyclohexane-1,2-diamine
CID 103188347
2-N-(cyclopropylmethyl)-4-methyl-2-N-propylcyclohexane-1,2-diamine
CID 61440402
2-N,4-diethyl-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 43265755
3-[propan-2-yl(propyl)amino]-4-propylcyclohexan-1-ol
CID 165497914
2-N-(1-methoxypropan-2-yl)-2-N,4-dimethylcyclohexane-1,2-diamine
CID 61453513
1-N-propan-2-yl-1-N-propylcyclobutane-1,3-diamine
CID 80561596
4-methyl-3-[propan-2-yl(propyl)amino]cyclohexan-1-ol
CID 165491668
4-ethyl-2-N-(2-methylpropyl)-2-N-propan-2-ylcyclohexane-1,2-diamine
CID 54999761
4-methyl-2-N-pentyl-2-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63469605
2-[2-methoxyethyl(propan-2-yl)amino]-4-methylcyclohexan-1-ol
CID 82961110

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine?
The IUPAC name of 4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine (CID 43269484) is 4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine is CCCN(C(C)C)C1CC(C)CCC1N.
What is the InChIKey of 4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine?
The InChIKey is GMLJDJIXOXESJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-8-15(10(2)3)13-9-11(4)6-7-12(13)14/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine?
4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-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 4-methyl-2-N-propan-2-yl-2-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 43269484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).