2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine

C17H28N2O — CID 63272919

IUPAC2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)N(C)C2CCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-17(13-18,19(2)15-6-4-5-7-15)12-14-8-10-16(20-3)11-9-14/h8-11,15H,4-7,12-13,18H2,1-3H3
InChIKeyZMTTWVPPDIVCLV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.83
Rot. Bonds6

About 2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine

2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 63272919) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
PubChem CID63272919
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
SMILESCOc1ccc(CC(C)(CN)N(C)C2CCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-17(13-18,19(2)15-6-4-5-7-15)12-14-8-10-16(20-3)11-9-14/h8-11,15H,4-7,12-13,18H2,1-3H3
InChIKeyZMTTWVPPDIVCLV-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-cyclohexyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 60709719
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 55169280
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-phenylpropane-1,2-diamine
CID 60709902
3-(4-methoxyphenyl)-2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112658105
3-(4-methoxyphenyl)-2-methyl-2-(2-methylpiperidin-1-yl)propan-1-amine
CID 60709995
1-(4-methoxyphenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84748167
2-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 65385865
2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831363
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364
2-N-ethyl-4-(4-methoxyphenyl)-2-N,2-dimethylbutane-1,2-diamine
CID 54878009
2-(azocan-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-amine
CID 63272832
N-[(4-methoxyphenyl)methyl]-N-propan-2-ylcyclopentanamine
CID 138519134

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine (CID 63272919) is 2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is COc1ccc(CC(C)(CN)N(C)C2CCCC2)cc1.
What is the InChIKey of 2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is ZMTTWVPPDIVCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(13-18,19(2)15-6-4-5-7-15)12-14-8-10-16(20-3)11-9-14/h8-11,15H,4-7,12-13,18H2,1-3H3.
What are the key properties of 2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine?
2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-3-(4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 63272919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).