N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine

C13H24N4 — CID 66133644

IUPACN-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
SMILESCCn1cncc1CNCC1CCCCN1C
InChIInChI=1S/C13H24N4/c1-3-17-11-15-10-13(17)9-14-8-12-6-4-5-7-16(12)2/h10-12,14H,3-9H2,1-2H3
InChIKeyCRDNHXLJTHJIGH-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.48
Rot. Bonds5

About N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine

N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine (PubChem CID 66133644) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
PubChem CID66133644
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
SMILESCCn1cncc1CNCC1CCCCN1C
InChIInChI=1S/C13H24N4/c1-3-17-11-15-10-13(17)9-14-8-12-6-4-5-7-16(12)2/h10-12,14H,3-9H2,1-2H3
InChIKeyCRDNHXLJTHJIGH-UHFFFAOYSA-N
XLogP1.48
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine (CID 66133644) is N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine is CCn1cncc1CNCC1CCCCN1C.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
The InChIKey is CRDNHXLJTHJIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-17-11-15-10-13(17)9-14-8-12-6-4-5-7-16(12)2/h10-12,14H,3-9H2,1-2H3.
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine?
N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine has a molecular weight of 236.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine is sourced from PubChem (CID 66133644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).