N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane

C19H38N4 — CID 142031740

IUPACN-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane
SMILESC/C=C/N=C(/CC1=NCCC(CC)N1)N/C=C/CC.CC.CC
InChIInChI=1S/C15H26N4.2C2H6/c1-4-7-10-17-14(16-9-5-2)12-15-18-11-8-13(6-3)19-15;2*1-2/h5,7,9-10,13H,4,6,8,11-12H2,1-3H3,(H,16,17)(H,18,19);2*1-2H3/b9-5+,10-7+;;
InChIKeyWLVXAEMFRCXHOX-SILBLGSPSA-N
MW322.54 g/mol
LogP5.04
Rot. Bonds6

About N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane

N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane (PubChem CID 142031740) has the molecular formula C19H38N4 and a molecular weight of 322.54 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane
PubChem CID142031740
Molecular FormulaC19H38N4
Molecular Weight322.54 g/mol
Exact Mass322.31
IUPAC NameN-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane
SMILESC/C=C/N=C(/CC1=NCCC(CC)N1)N/C=C/CC.CC.CC
InChIInChI=1S/C15H26N4.2C2H6/c1-4-7-10-17-14(16-9-5-2)12-15-18-11-8-13(6-3)19-15;2*1-2/h5,7,9-10,13H,4,6,8,11-12H2,1-3H3,(H,16,17)(H,18,19);2*1-2H3/b9-5+,10-7+;;
InChIKeyWLVXAEMFRCXHOX-SILBLGSPSA-N
XLogP5.04
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine
CID 137257058
ethane;(2E,6E)-2-methyl-5-piperidin-4-yl-1,4,8,9-tetrahydro-1,3,5-triazonine
CID 144056585
(Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide
CID 177317069
N-pent-4-en-2-yl-2,3,4,5-tetrahydropyridin-6-amine
CID 116040191
N-but-3-en-2-yl-2,3,4,5-tetrahydropyridin-6-amine
CID 116145940
2-N-piperidin-4-yl-1,4-dihydropyridine-2,3-diimine
CID 136431746
N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide
CID 142031741
(2E,6E)-2-methyl-5-piperidin-4-yl-1,4,8,9-tetrahydro-1,3,5-triazonine
CID 144056586

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane?
The IUPAC name of N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane (CID 142031740) is N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane.
What is the SMILES notation for N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane?
The canonical SMILES for N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane is C/C=C/N=C(/CC1=NCCC(CC)N1)N/C=C/CC.CC.CC.
What is the InChIKey of N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane?
The InChIKey is WLVXAEMFRCXHOX-SILBLGSPSA-N. The full InChI is InChI=1S/C15H26N4.2C2H6/c1-4-7-10-17-14(16-9-5-2)12-15-18-11-8-13(6-3)19-15;2*1-2/h5,7,9-10,13H,4,6,8,11-12H2,1-3H3,(H,16,17)(H,18,19);2*1-2H3/b9-5+,10-7+;;.
What are the key properties of N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane?
N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane has a molecular weight of 322.54 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane is sourced from PubChem (CID 142031740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).