N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

C13H26N4 — CID 66129797

IUPACN-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCCN(C)C(CN)c1cncn1CCC
InChIInChI=1S/C13H26N4/c1-4-6-8-16(3)12(9-14)13-10-15-11-17(13)7-5-2/h10-12H,4-9,14H2,1-3H3
InChIKeyWGEXAZPZBVJIAS-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.02
Rot. Bonds8

About N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66129797) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66129797
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCCN(C)C(CN)c1cncn1CCC
InChIInChI=1S/C13H26N4/c1-4-6-8-16(3)12(9-14)13-10-15-11-17(13)7-5-2/h10-12H,4-9,14H2,1-3H3
InChIKeyWGEXAZPZBVJIAS-UHFFFAOYSA-N
XLogP2.02
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66140216
N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131202
N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131803
N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130799
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130408
N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130810
N-(cyclopropylmethyl)-N-propyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129407
N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130411
N-butan-2-yl-N-butyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66116888
N-methyl-N-(2-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131408
N-butyl-N-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 43199885

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (CID 66129797) is N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is CCCCN(C)C(CN)c1cncn1CCC.
What is the InChIKey of N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is WGEXAZPZBVJIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-6-8-16(3)12(9-14)13-10-15-11-17(13)7-5-2/h10-12H,4-9,14H2,1-3H3.
What are the key properties of N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66129797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).