N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine

C12H21N3 — CID 67763807

IUPACN-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine
SMILESC=CCC(=CNCCN1C=NCC1)CC
InChIInChI=1S/C12H21N3/c1-3-5-12(4-2)10-13-6-8-15-9-7-14-11-15/h3,10-11,13H,1,4-9H2,2H3
InChIKeyVZIBXHCSHVPHPI-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.79
Rot. Bonds7

About N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine

N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine (PubChem CID 67763807) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine.

Molecular Properties

Compound NameN-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine
PubChem CID67763807
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine
SMILESC=CCC(=CNCCN1C=NCC1)CC
InChIInChI=1S/C12H21N3/c1-3-5-12(4-2)10-13-6-8-15-9-7-14-11-15/h3,10-11,13H,1,4-9H2,2H3
InChIKeyVZIBXHCSHVPHPI-UHFFFAOYSA-N
XLogP1.79
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine?
The IUPAC name of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine (CID 67763807) is N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine.
What is the SMILES notation for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine?
The canonical SMILES for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine is C=CCC(=CNCCN1C=NCC1)CC.
What is the InChIKey of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine?
The InChIKey is VZIBXHCSHVPHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-5-12(4-2)10-13-6-8-15-9-7-14-11-15/h3,10-11,13H,1,4-9H2,2H3.
What are the key properties of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine?
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]-2-ethylpenta-1,4-dien-1-amine is sourced from PubChem (CID 67763807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).