(E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine

C12H19N3 — CID 103092403

IUPAC(E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1cncn1C1CC1
InChIInChI=1S/C12H19N3/c1-3-14-10(2)4-5-12-8-13-9-15(12)11-6-7-11/h4-5,8-11,14H,3,6-7H2,1-2H3/b5-4+
InChIKeyULJWVNYREVMNDX-SNAWJCMRSA-N
MW205.31 g/mol
LogP2.23
Rot. Bonds5

About (E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine

(E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine (PubChem CID 103092403) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine
PubChem CID103092403
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1cncn1C1CC1
InChIInChI=1S/C12H19N3/c1-3-14-10(2)4-5-12-8-13-9-15(12)11-6-7-11/h4-5,8-11,14H,3,6-7H2,1-2H3/b5-4+
InChIKeyULJWVNYREVMNDX-SNAWJCMRSA-N
XLogP2.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine?
The IUPAC name of (E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine (CID 103092403) is (E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine is CCNC(C)/C=C/c1cncn1C1CC1.
What is the InChIKey of (E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine?
The InChIKey is ULJWVNYREVMNDX-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-14-10(2)4-5-12-8-13-9-15(12)11-6-7-11/h4-5,8-11,14H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of (E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine?
(E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine has a molecular weight of 205.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(3-cyclopropylimidazol-4-yl)-N-ethylbut-3-en-2-amine is sourced from PubChem (CID 103092403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).