N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine

C19H32N2 — CID 63631762

IUPACN'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
SMILESCC(C)Cc1ccc(C(N)CN(C)CC2CCCC2)cc1
InChIInChI=1S/C19H32N2/c1-15(2)12-16-8-10-18(11-9-16)19(20)14-21(3)13-17-6-4-5-7-17/h8-11,15,17,19H,4-7,12-14,20H2,1-3H3
InChIKeyWBRZQOQQFNLEDY-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.01
Rot. Bonds7

About N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine

N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine (PubChem CID 63631762) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
PubChem CID63631762
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
SMILESCC(C)Cc1ccc(C(N)CN(C)CC2CCCC2)cc1
InChIInChI=1S/C19H32N2/c1-15(2)12-16-8-10-18(11-9-16)19(20)14-21(3)13-17-6-4-5-7-17/h8-11,15,17,19H,4-7,12-14,20H2,1-3H3
InChIKeyWBRZQOQQFNLEDY-UHFFFAOYSA-N
XLogP4.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
1-(4-tert-butylphenyl)-N'-(cyclobutylmethyl)-N'-methylethane-1,2-diamine
CID 62861303
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
N'-(cyclobutylmethyl)-N'-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 62861835
2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64625982
2-(2-cyclobutylethoxy)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 106200916
N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291313
N'-methyl-1-(4-methylphenyl)-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 61431684
1-(4-fluorophenyl)-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 107521298
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62862003
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine (CID 63631762) is N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine is CC(C)Cc1ccc(C(N)CN(C)CC2CCCC2)cc1.
What is the InChIKey of N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The InChIKey is WBRZQOQQFNLEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)12-16-8-10-18(11-9-16)19(20)14-21(3)13-17-6-4-5-7-17/h8-11,15,17,19H,4-7,12-14,20H2,1-3H3.
What are the key properties of N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine has a molecular weight of 288.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 63631762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).