5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine

C13H25N3 — CID 79751948

IUPAC5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
SMILESCCCn1ccnc1CC(N)CCC(C)C
InChIInChI=1S/C13H25N3/c1-4-8-16-9-7-15-13(16)10-12(14)6-5-11(2)3/h7,9,11-12H,4-6,8,10,14H2,1-3H3
InChIKeyVXJLILXJBSILGJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.60
Rot. Bonds7

About 5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine

5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine (PubChem CID 79751948) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
PubChem CID79751948
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine
SMILESCCCn1ccnc1CC(N)CCC(C)C
InChIInChI=1S/C13H25N3/c1-4-8-16-9-7-15-13(16)10-12(14)6-5-11(2)3/h7,9,11-12H,4-6,8,10,14H2,1-3H3
InChIKeyVXJLILXJBSILGJ-UHFFFAOYSA-N
XLogP2.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167779
5-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79760450
1-(1-ethylimidazol-2-yl)undecan-2-amine
CID 105009322
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
1-(1-decylimidazol-2-yl)butan-2-amine
CID 63095303
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760794
1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215835
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105012449
1-(1-octylimidazol-2-yl)propan-2-amine
CID 63096350
[1-propan-2-ylsulfanyl-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105226247
1-(3,5-dimethylphenyl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012197

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine?
The IUPAC name of 5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine (CID 79751948) is 5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine.
What is the SMILES notation for 5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine?
The canonical SMILES for 5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine is CCCn1ccnc1CC(N)CCC(C)C.
What is the InChIKey of 5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine?
The InChIKey is VXJLILXJBSILGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-8-16-9-7-15-13(16)10-12(14)6-5-11(2)3/h7,9,11-12H,4-6,8,10,14H2,1-3H3.
What are the key properties of 5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine?
5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(1-propylimidazol-2-yl)hexan-2-amine is sourced from PubChem (CID 79751948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).