1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine

C16H26N2 — CID 115117215

IUPAC1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine
SMILESCN(c1ccc(C(C)(C)C)cc1)C1CCCC1N
InChIInChI=1S/C16H26N2/c1-16(2,3)12-8-10-13(11-9-12)18(4)15-7-5-6-14(15)17/h8-11,14-15H,5-7,17H2,1-4H3
InChIKeyOPJAFPHHKFMUNK-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.30
Rot. Bonds2

About 1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine

1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine (PubChem CID 115117215) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine
PubChem CID115117215
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine
SMILESCN(c1ccc(C(C)(C)C)cc1)C1CCCC1N
InChIInChI=1S/C16H26N2/c1-16(2,3)12-8-10-13(11-9-12)18(4)15-7-5-6-14(15)17/h8-11,14-15H,5-7,17H2,1-4H3
InChIKeyOPJAFPHHKFMUNK-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
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CID 2723782
4-(Aminomethyl)-N,N-dimethylaniline
CID 80826
2-(N-benzylanilino)ethyl-dimethylazanium chloride
CID 16288
N,N-dimethyl-4-{[(propan-2-yl)amino]methyl}aniline
CID 2774184
4-Dimethylaminophenethylamine
CID 151268
(1-Phenyl-ethyl)-P-tolyl-amine
CID 263002
N,N-dimethyl-4-{[(4-methylphenyl)amino]methyl}aniline
CID 292407
4-(1,1-Dimethylethyl)-N,N-dimethylbenzenamine
CID 76199
Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)-
CID 110640
Amiflamine
CID 71221

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine?
The IUPAC name of 1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine (CID 115117215) is 1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine.
What is the SMILES notation for 1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine?
The canonical SMILES for 1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine is CN(c1ccc(C(C)(C)C)cc1)C1CCCC1N.
What is the InChIKey of 1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine?
The InChIKey is OPJAFPHHKFMUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)12-8-10-13(11-9-12)18(4)15-7-5-6-14(15)17/h8-11,14-15H,5-7,17H2,1-4H3.
What are the key properties of 1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine?
1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-tert-butylphenyl)-1-N-methylcyclopentane-1,2-diamine is sourced from PubChem (CID 115117215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).