3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide

C14H26N4O — CID 66151164

IUPAC3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1cncc1CNCC(C)C
InChIInChI=1S/C14H26N4O/c1-4-6-17-14(19)5-7-18-11-16-10-13(18)9-15-8-12(2)3/h10-12,15H,4-9H2,1-3H3,(H,17,19)
InChIKeyLXHXLSCMRSNGRJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.54
Rot. Bonds9

About 3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide

3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide (PubChem CID 66151164) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide
PubChem CID66151164
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1cncc1CNCC(C)C
InChIInChI=1S/C14H26N4O/c1-4-6-17-14(19)5-7-18-11-16-10-13(18)9-15-8-12(2)3/h10-12,15H,4-9H2,1-3H3,(H,17,19)
InChIKeyLXHXLSCMRSNGRJ-UHFFFAOYSA-N
XLogP1.54
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide?
The IUPAC name of 3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide (CID 66151164) is 3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide?
The canonical SMILES for 3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide is CCCNC(=O)CCn1cncc1CNCC(C)C.
What is the InChIKey of 3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide?
The InChIKey is LXHXLSCMRSNGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-6-17-14(19)5-7-18-11-16-10-13(18)9-15-8-12(2)3/h10-12,15H,4-9H2,1-3H3,(H,17,19).
What are the key properties of 3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide?
3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide has a molecular weight of 266.39 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propylpropanamide is sourced from PubChem (CID 66151164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).