N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine

C11H21N3 — CID 67899455

IUPACN-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine
SMILESC=CC(NCCCCC)N1C=NCC1
InChIInChI=1S/C11H21N3/c1-3-5-6-7-13-11(4-2)14-9-8-12-10-14/h4,10-11,13H,2-3,5-9H2,1H3
InChIKeyVSJKSHYEOHHCIL-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.62
Rot. Bonds7

About N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine

N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine (PubChem CID 67899455) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine.

Molecular Properties

Compound NameN-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine
PubChem CID67899455
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine
SMILESC=CC(NCCCCC)N1C=NCC1
InChIInChI=1S/C11H21N3/c1-3-5-6-7-13-11(4-2)14-9-8-12-10-14/h4,10-11,13H,2-3,5-9H2,1H3
InChIKeyVSJKSHYEOHHCIL-UHFFFAOYSA-N
XLogP1.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.62
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-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine?
The IUPAC name of N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine (CID 67899455) is N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine.
What is the SMILES notation for N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine?
The canonical SMILES for N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine is C=CC(NCCCCC)N1C=NCC1.
What is the InChIKey of N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine?
The InChIKey is VSJKSHYEOHHCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-5-6-7-13-11(4-2)14-9-8-12-10-14/h4,10-11,13H,2-3,5-9H2,1H3.
What are the key properties of N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine?
N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dihydroimidazol-1-yl)prop-2-enyl]pentan-1-amine is sourced from PubChem (CID 67899455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).