N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine

C13H24N4 — CID 66140216

IUPACN-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCCCN(C)C(CN)c1cncn1C1CC1
InChIInChI=1S/C13H24N4/c1-3-4-7-16(2)12(8-14)13-9-15-10-17(13)11-5-6-11/h9-12H,3-8,14H2,1-2H3
InChIKeyNLKRLRKHIWOYPP-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.95
Rot. Bonds7

About N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine

N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine (PubChem CID 66140216) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine
PubChem CID66140216
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine
SMILESCCCCN(C)C(CN)c1cncn1C1CC1
InChIInChI=1S/C13H24N4/c1-3-4-7-16(2)12(8-14)13-9-15-10-17(13)11-5-6-11/h9-12H,3-8,14H2,1-2H3
InChIKeyNLKRLRKHIWOYPP-UHFFFAOYSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658268
1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
CID 66141826
N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129797
1-(3-cyclopropylimidazol-4-yl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 66142235
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 66142234
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
CID 66142037
1-(3-cyclopropylimidazol-4-yl)-N-methyl-N-(3-methylcyclohexyl)ethane-1,2-diamine
CID 66140417
1-(3-cyclopropylimidazol-4-yl)-N-(2-fluorophenyl)-N-methylethane-1,2-diamine
CID 66140814
ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
CID 66139484
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
CID 66141019
3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine
CID 107444389
3-(3-cyclopropylimidazol-4-yl)-3-(diethylamino)propanoic acid
CID 66142290

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine (CID 66140216) is N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine is CCCCN(C)C(CN)c1cncn1C1CC1.
What is the InChIKey of N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine?
The InChIKey is NLKRLRKHIWOYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-4-7-16(2)12(8-14)13-9-15-10-17(13)11-5-6-11/h9-12H,3-8,14H2,1-2H3.
What are the key properties of N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine?
N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 66140216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).