N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine

C19H34N2 — CID 63466904

IUPACN',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC)CC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H34N2/c1-6-13-20-19(15-21(7-2)8-3)18-11-9-17(10-12-18)14-16(4)5/h9-12,16,19-20H,6-8,13-15H2,1-5H3
InChIKeyXTGBXQIBAWASLD-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.27
Rot. Bonds10

About N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine

N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine (PubChem CID 63466904) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine
PubChem CID63466904
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC NameN',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine
SMILESCCCNC(CN(CC)CC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C19H34N2/c1-6-13-20-19(15-21(7-2)8-3)18-11-9-17(10-12-18)14-16(4)5/h9-12,16,19-20H,6-8,13-15H2,1-5H3
InChIKeyXTGBXQIBAWASLD-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-1-(4-ethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63467155
N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 64645191
N-[1-phenyl-2-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 63413063
1-(4-butylphenyl)-4-methyl-N-propylpentan-1-amine
CID 43496397
N-ethyl-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 170239440
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974
1-(4-methylphenyl)-N'-(2-methylpropyl)-N'-propan-2-yl-N-propylethane-1,2-diamine
CID 63469252
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
N,N',N'-triethyl-1-phenylethane-1,2-diamine
CID 60695169
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63465310
N-[1-(4-iodophenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63527594

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine (CID 63466904) is N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine is CCCNC(CN(CC)CC)c1ccc(CC(C)C)cc1.
What is the InChIKey of N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine?
The InChIKey is XTGBXQIBAWASLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-6-13-20-19(15-21(7-2)8-3)18-11-9-17(10-12-18)14-16(4)5/h9-12,16,19-20H,6-8,13-15H2,1-5H3.
What are the key properties of N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine?
N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.27, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine is sourced from PubChem (CID 63466904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).