(E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen

C15H27N3 — CID 143713159

IUPAC(E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen
SMILES[H]/N=C/C(C/C(=C/NCC)CCC)C1=CCCN=C1.[H][H]
InChIInChI=1S/C15H25N3.H2/c1-3-6-13(11-17-4-2)9-15(10-16)14-7-5-8-18-12-14;/h7,10-12,15-17H,3-6,8-9H2,1-2H3;1H/b13-11+,16-10+;
InChIKeyPJRAIFASAYMUNR-HHKFYJNISA-N
MW249.40 g/mol
LogP3.58
Rot. Bonds8

About (E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen

(E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen (PubChem CID 143713159) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is (E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Name(E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen
PubChem CID143713159
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name(E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen
SMILES[H]/N=C/C(C/C(=C/NCC)CCC)C1=CCCN=C1.[H][H]
InChIInChI=1S/C15H25N3.H2/c1-3-6-13(11-17-4-2)9-15(10-16)14-7-5-8-18-12-14;/h7,10-12,15-17H,3-6,8-9H2,1-2H3;1H/b13-11+,16-10+;
InChIKeyPJRAIFASAYMUNR-HHKFYJNISA-N
XLogP3.58
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen?
The IUPAC name of (E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen (CID 143713159) is (E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen.
What is the SMILES notation for (E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen?
The canonical SMILES for (E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen is [H]/N=C/C(C/C(=C/NCC)CCC)C1=CCCN=C1.[H][H].
What is the InChIKey of (E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen?
The InChIKey is PJRAIFASAYMUNR-HHKFYJNISA-N. The full InChI is InChI=1S/C15H25N3.H2/c1-3-6-13(11-17-4-2)9-15(10-16)14-7-5-8-18-12-14;/h7,10-12,15-17H,3-6,8-9H2,1-2H3;1H/b13-11+,16-10+;.
What are the key properties of (E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen?
(E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen has a molecular weight of 249.40 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,3-dihydropyridin-5-yl)-N-ethyl-5-imino-2-propylpent-1-en-1-amine;molecular hydrogen is sourced from PubChem (CID 143713159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).