N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine

C18H32N2 — CID 63465310

IUPACN'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
SMILESCCCCN(C)CC(NC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-7-12-20(5)14-18(19-4)17-10-8-16(9-11-17)13-15(2)3/h8-11,15,18-19H,6-7,12-14H2,1-5H3
InChIKeyVAVKDUBHCVDXFX-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.88
Rot. Bonds9

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

N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine (PubChem CID 63465310) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
PubChem CID63465310
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
SMILESCCCCN(C)CC(NC)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H32N2/c1-6-7-12-20(5)14-18(19-4)17-10-8-16(9-11-17)13-15(2)3/h8-11,15,18-19H,6-7,12-14H2,1-5H3
InChIKeyVAVKDUBHCVDXFX-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63693086
N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693996
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
2-[butyl(ethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63470564
N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 81058237
3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43480587
1-(4-ethylphenyl)-N,5-dimethylhexan-1-amine
CID 83161767
N',N'-diethyl-1-[4-(2-methylpropyl)phenyl]-N-propylethane-1,2-diamine
CID 63466904
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 14545863
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43105672
2-[2-hydroxyethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217026

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine (CID 63465310) is N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine is CCCCN(C)CC(NC)c1ccc(CC(C)C)cc1.
What is the InChIKey of N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The InChIKey is VAVKDUBHCVDXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-7-12-20(5)14-18(19-4)17-10-8-16(9-11-17)13-15(2)3/h8-11,15,18-19H,6-7,12-14H2,1-5H3.
What are the key properties of N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 63465310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).