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

C14H27N3 — CID 167058425

IUPAC(E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine
SMILESCC/C=C(\CC)NCC1CN=C(CCCC)N1
InChIInChI=1S/C14H27N3/c1-4-7-9-14-16-11-13(17-14)10-15-12(6-3)8-5-2/h8,13,15H,4-7,9-11H2,1-3H3,(H,16,17)/b12-8+
InChIKeyIZXSNWLHAFOWCT-XYOKQWHBSA-N
MW237.39 g/mol
LogP2.84
Rot. Bonds8

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

(E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine (PubChem CID 167058425) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is (E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine.

Molecular Properties

Compound Name(E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine
PubChem CID167058425
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name(E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine
SMILESCC/C=C(\CC)NCC1CN=C(CCCC)N1
InChIInChI=1S/C14H27N3/c1-4-7-9-14-16-11-13(17-14)10-15-12(6-3)8-5-2/h8,13,15H,4-7,9-11H2,1-3H3,(H,16,17)/b12-8+
InChIKeyIZXSNWLHAFOWCT-XYOKQWHBSA-N
XLogP2.84
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine?
The IUPAC name of (E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine (CID 167058425) is (E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine.
What is the SMILES notation for (E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine?
The canonical SMILES for (E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine is CC/C=C(\CC)NCC1CN=C(CCCC)N1.
What is the InChIKey of (E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine?
The InChIKey is IZXSNWLHAFOWCT-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-7-9-14-16-11-13(17-14)10-15-12(6-3)8-5-2/h8,13,15H,4-7,9-11H2,1-3H3,(H,16,17)/b12-8+.
What are the key properties of (E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine?
(E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine has a molecular weight of 237.39 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-butyl-4,5-dihydro-1H-imidazol-5-yl)methyl]hex-3-en-3-amine is sourced from PubChem (CID 167058425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).