5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine

C13H24N4 — CID 79987030

IUPAC5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine
SMILESCCCn1cncc1CN1CC(C)CC(N)C1
InChIInChI=1S/C13H24N4/c1-3-4-17-10-15-6-13(17)9-16-7-11(2)5-12(14)8-16/h6,10-12H,3-5,7-9,14H2,1-2H3
InChIKeyPHIRLWRVBQHCQY-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.46
Rot. Bonds4

About 5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine

5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine (PubChem CID 79987030) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine
PubChem CID79987030
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine
SMILESCCCn1cncc1CN1CC(C)CC(N)C1
InChIInChI=1S/C13H24N4/c1-3-4-17-10-15-6-13(17)9-16-7-11(2)5-12(14)8-16/h6,10-12H,3-5,7-9,14H2,1-2H3
InChIKeyPHIRLWRVBQHCQY-UHFFFAOYSA-N
XLogP1.46
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine (CID 79987030) is 5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine is CCCn1cncc1CN1CC(C)CC(N)C1.
What is the InChIKey of 5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is PHIRLWRVBQHCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-4-17-10-15-6-13(17)9-16-7-11(2)5-12(14)8-16/h6,10-12H,3-5,7-9,14H2,1-2H3.
What are the key properties of 5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine?
5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3-propylimidazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 79987030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).