3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine

C15H28N4 — CID 119110998

IUPAC3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine
SMILESCCC(CC)C(CNCc1ncc[nH]1)N1CCCC1
InChIInChI=1S/C15H28N4/c1-3-13(4-2)14(19-9-5-6-10-19)11-16-12-15-17-7-8-18-15/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,17,18)
InChIKeyCDCDXBSAEAIEAQ-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.40
Rot. Bonds8

About 3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine

3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine (PubChem CID 119110998) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine
PubChem CID119110998
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine
SMILESCCC(CC)C(CNCc1ncc[nH]1)N1CCCC1
InChIInChI=1S/C15H28N4/c1-3-13(4-2)14(19-9-5-6-10-19)11-16-12-15-17-7-8-18-15/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,17,18)
InChIKeyCDCDXBSAEAIEAQ-UHFFFAOYSA-N
XLogP2.40
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine?
The IUPAC name of 3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine (CID 119110998) is 3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine.
What is the SMILES notation for 3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine?
The canonical SMILES for 3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine is CCC(CC)C(CNCc1ncc[nH]1)N1CCCC1.
What is the InChIKey of 3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine?
The InChIKey is CDCDXBSAEAIEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-3-13(4-2)14(19-9-5-6-10-19)11-16-12-15-17-7-8-18-15/h7-8,13-14,16H,3-6,9-12H2,1-2H3,(H,17,18).
What are the key properties of 3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine?
3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine is sourced from PubChem (CID 119110998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).