N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine

C15H28N4 — CID 66130769

IUPACN-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCCn1cncc1C1C(CNCC)CCCN1C
InChIInChI=1S/C15H28N4/c1-4-8-19-12-17-11-14(19)15-13(10-16-5-2)7-6-9-18(15)3/h11-13,15-16H,4-10H2,1-3H3
InChIKeyAIYRTPLLYDSQHT-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.29
Rot. Bonds6

About N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine

N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine (PubChem CID 66130769) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine
PubChem CID66130769
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine
SMILESCCCn1cncc1C1C(CNCC)CCCN1C
InChIInChI=1S/C15H28N4/c1-4-8-19-12-17-11-14(19)15-13(10-16-5-2)7-6-9-18(15)3/h11-13,15-16H,4-10H2,1-3H3
InChIKeyAIYRTPLLYDSQHT-UHFFFAOYSA-N
XLogP2.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine (CID 66130769) is N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine is CCCn1cncc1C1C(CNCC)CCCN1C.
What is the InChIKey of N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is AIYRTPLLYDSQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-8-19-12-17-11-14(19)15-13(10-16-5-2)7-6-9-18(15)3/h11-13,15-16H,4-10H2,1-3H3.
What are the key properties of N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine?
N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 264.42 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-2-(3-propylimidazol-4-yl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66130769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).