3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine

C14H23N5 — CID 114530679

IUPAC3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)c1cncn1C
InChIInChI=1S/C14H23N5/c1-4-7-16-12(13-10-15-11-19(13)3)5-6-14-17-8-9-18(14)2/h8-12,16H,4-7H2,1-3H3
InChIKeySGPKTIMZHCPKTD-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.83
Rot. Bonds7

About 3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine

3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine (PubChem CID 114530679) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine
PubChem CID114530679
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)c1cncn1C
InChIInChI=1S/C14H23N5/c1-4-7-16-12(13-10-15-11-19(13)3)5-6-14-17-8-9-18(14)2/h8-12,16H,4-7H2,1-3H3
InChIKeySGPKTIMZHCPKTD-UHFFFAOYSA-N
XLogP1.83
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105187793
1-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine
CID 82902041
1-(5-methylfuran-3-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049859
4-(1-methylimidazol-2-yl)-1-phenyl-N-propylbutan-1-amine
CID 79761932
1-(3-chloro-2-pyridinyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 103444761
3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 82923031
1-(2,5-difluorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530197
1-(4-bromo-3-methylphenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105049733
1,1,1-trifluoro-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 105049992
1-(1-methylimidazol-2-yl)-N-propyl-5-pyridin-4-ylpentan-3-amine
CID 105187730
N-[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 82903504
1-(3-bromo-4-chlorophenyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530643

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine (CID 114530679) is 3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1nccn1C)c1cncn1C.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is SGPKTIMZHCPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-4-7-16-12(13-10-15-11-19(13)3)5-6-14-17-8-9-18(14)2/h8-12,16H,4-7H2,1-3H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine?
3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114530679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).