(E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine

C13H25N3 — CID 167058382

IUPAC(E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine
SMILESCC/C=C(\CC)NCC1CN=C(CCC)N1
InChIInChI=1S/C13H25N3/c1-4-7-11(6-3)14-9-12-10-15-13(16-12)8-5-2/h7,12,14H,4-6,8-10H2,1-3H3,(H,15,16)/b11-7+
InChIKeyXOAHZPSNLNBJNZ-YRNVUSSQSA-N
MW223.36 g/mol
LogP2.45
Rot. Bonds7

About (E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine

(E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine (PubChem CID 167058382) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is (E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine.

Molecular Properties

Compound Name(E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine
PubChem CID167058382
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name(E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine
SMILESCC/C=C(\CC)NCC1CN=C(CCC)N1
InChIInChI=1S/C13H25N3/c1-4-7-11(6-3)14-9-12-10-15-13(16-12)8-5-2/h7,12,14H,4-6,8-10H2,1-3H3,(H,15,16)/b11-7+
InChIKeyXOAHZPSNLNBJNZ-YRNVUSSQSA-N
XLogP2.45
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine?
The IUPAC name of (E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine (CID 167058382) is (E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine.
What is the SMILES notation for (E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine?
The canonical SMILES for (E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine is CC/C=C(\CC)NCC1CN=C(CCC)N1.
What is the InChIKey of (E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine?
The InChIKey is XOAHZPSNLNBJNZ-YRNVUSSQSA-N. The full InChI is InChI=1S/C13H25N3/c1-4-7-11(6-3)14-9-12-10-15-13(16-12)8-5-2/h7,12,14H,4-6,8-10H2,1-3H3,(H,15,16)/b11-7+.
What are the key properties of (E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine?
(E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-propyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine is sourced from PubChem (CID 167058382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).