1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine

C17H28N2 — CID 115117726

IUPAC1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
SMILESCc1ccc(C(C)(C)CNC2CCCC2N)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-8-9-14(13(2)10-12)17(3,4)11-19-16-7-5-6-15(16)18/h8-10,15-16,19H,5-7,11,18H2,1-4H3
InChIKeyOXVDCCMTNJCMKR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.05
Rot. Bonds4

About 1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine

1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine (PubChem CID 115117726) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
PubChem CID115117726
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
SMILESCc1ccc(C(C)(C)CNC2CCCC2N)c(C)c1
InChIInChI=1S/C17H28N2/c1-12-8-9-14(13(2)10-12)17(3,4)11-19-16-7-5-6-15(16)18/h8-10,15-16,19H,5-7,11,18H2,1-4H3
InChIKeyOXVDCCMTNJCMKR-UHFFFAOYSA-N
XLogP3.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118559
1-N-[2-(3,4-difluorophenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117729
3-[[[2-(2,4-dimethylphenyl)-2-methylpropyl]amino]methyl]cyclobutan-1-amine
CID 115214414
2-N-(2-methyl-2-pyridin-4-ylpropyl)cyclohexane-1,2-diamine
CID 115118174
1-N-[2-(3-methoxyphenyl)-2-methylpropyl]cyclopentane-1,2-diamine
CID 115117745
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406
2-(2,4-dimethylphenyl)-N-(methoxymethyl)-2-methylpropan-1-amine
CID 115259147
N-[2-(2,5-dimethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118553
2-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-methylbutane-1,2-diamine
CID 115138395
2-amino-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]-3-hydroxypropanamide
CID 115180202
4-(2,4-dimethylphenyl)-N-ethyl-4-methylpentan-2-amine
CID 64717224

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
The IUPAC name of 1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine (CID 115117726) is 1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
The canonical SMILES for 1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine is Cc1ccc(C(C)(C)CNC2CCCC2N)c(C)c1.
What is the InChIKey of 1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
The InChIKey is OXVDCCMTNJCMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-8-9-14(13(2)10-12)17(3,4)11-19-16-7-5-6-15(16)18/h8-10,15-16,19H,5-7,11,18H2,1-4H3.
What are the key properties of 1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine?
1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2,4-dimethylphenyl)-2-methylpropyl]cyclopentane-1,2-diamine is sourced from PubChem (CID 115117726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).