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

C15H26N4 — CID 142031741

IUPACN-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide
SMILESC/C=C/N=C(/CC1=NCCC(CC)N1)N/C=C/CC
InChIInChI=1S/C15H26N4/c1-4-7-10-17-14(16-9-5-2)12-15-18-11-8-13(6-3)19-15/h5,7,9-10,13H,4,6,8,11-12H2,1-3H3,(H,16,17)(H,18,19)/b9-5+,10-7+
InChIKeyQDYLQOVEHAWICM-FWMCCXIMSA-N
MW262.40 g/mol
LogP2.99
Rot. Bonds6

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

N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide (PubChem CID 142031741) has the molecular formula C15H26N4 and a molecular weight of 262.40 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.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide
PubChem CID142031741
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide
SMILESC/C=C/N=C(/CC1=NCCC(CC)N1)N/C=C/CC
InChIInChI=1S/C15H26N4/c1-4-7-10-17-14(16-9-5-2)12-15-18-11-8-13(6-3)19-15/h5,7,9-10,13H,4,6,8,11-12H2,1-3H3,(H,16,17)(H,18,19)/b9-5+,10-7+
InChIKeyQDYLQOVEHAWICM-FWMCCXIMSA-N
XLogP2.99
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.99
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'}

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Related Compounds

N-propan-2-yl-3,4-dihydro-1H-pyridin-2-imine
CID 136010361
2-N-piperidin-4-yl-1,4-dihydropyridine-2,3-diimine;hydrochloride
CID 136431745
N-pentyl-1,3-dihydropyrrol-2-imine
CID 136470177
2-butylimino-N-methyl-N-[3-(methylideneamino)propyl]-3,4-dihydro-1H-pyridin-4-amine
CID 137257058
1-[N-[(1Z)-buta-1,3-dienyl]-C-methylcarbonimidoyl]piperidin-4-amine
CID 141866281
N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide;ethane
CID 142031740
ethane;(2E,6E)-2-methyl-5-piperidin-4-yl-1,4,8,9-tetrahydro-1,3,5-triazonine
CID 144056585
Ethane;2-ethyl-4-methyl-1,4-dihydropyrimidine
CID 145622546
N-cyclopentyl-3,4-dihydro-1H-pyridin-2-imine
CID 163469706
3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide
CID 167079852
N,2,4-trimethyl-1-pentylpyrimidin-4-amine
CID 169973959
N'-[(E)-4-[(dimethylamino)methylimino]but-1-enyl]-N-methyl-N-[3-(methylamino)butyl]methanimidamide
CID 173607941

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?
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 (CID 142031741) is N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide.
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?
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 is C/C=C/N=C(/CC1=NCCC(CC)N1)N/C=C/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?
The InChIKey is QDYLQOVEHAWICM-FWMCCXIMSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-7-10-17-14(16-9-5-2)12-15-18-11-8-13(6-3)19-15/h5,7,9-10,13H,4,6,8,11-12H2,1-3H3,(H,16,17)(H,18,19)/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?
N-[(E)-but-1-enyl]-2-(6-ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-N'-[(E)-prop-1-enyl]ethanimidamide has a molecular weight of 262.40 g/mol, XLogP of 2.99, 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 is sourced from PubChem (CID 142031741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).