2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine

C13H25N3 — CID 115859990

IUPAC2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1nccn1C)C(C)C(C)C
InChIInChI=1S/C13H25N3/c1-6-7-14-12(11(4)10(2)3)13-15-8-9-16(13)5/h8-12,14H,6-7H2,1-5H3
InChIKeyUNJPIBUOYYHLKN-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.75
Rot. Bonds6

About 2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine

2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine (PubChem CID 115859990) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
PubChem CID115859990
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(c1nccn1C)C(C)C(C)C
InChIInChI=1S/C13H25N3/c1-6-7-14-12(11(4)10(2)3)13-15-8-9-16(13)5/h8-12,14H,6-7H2,1-5H3
InChIKeyUNJPIBUOYYHLKN-UHFFFAOYSA-N
XLogP2.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-1-amine
CID 115860076
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
3-(1-methylimidazol-2-yl)-N-propan-2-ylbutan-1-amine
CID 81019534
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 63974966
N-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79615862
N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63977288
2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 116761341
2-ethoxy-N-ethyl-3-methyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 116721352
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine (CID 115859990) is 2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine is CCCNC(c1nccn1C)C(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
The InChIKey is UNJPIBUOYYHLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-7-14-12(11(4)10(2)3)13-15-8-9-16(13)5/h8-12,14H,6-7H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine?
2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 115859990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).