(Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine

C13H22N4 — CID 163302595

IUPAC(Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine
SMILESCCCCC(=C/N)/C(CC)=N/c1[nH]ncc1C
InChIInChI=1S/C13H22N4/c1-4-6-7-11(8-14)12(5-2)16-13-10(3)9-15-17-13/h8-9H,4-7,14H2,1-3H3,(H,15,17)/b11-8-,16-12+
InChIKeyKHAXGFKUYVOJCH-HLHGXTSASA-N
MW234.35 g/mol
LogP3.23
Rot. Bonds6

About (Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine

(Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine (PubChem CID 163302595) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is (Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine
PubChem CID163302595
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name(Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine
SMILESCCCCC(=C/N)/C(CC)=N/c1[nH]ncc1C
InChIInChI=1S/C13H22N4/c1-4-6-7-11(8-14)12(5-2)16-13-10(3)9-15-17-13/h8-9H,4-7,14H2,1-3H3,(H,15,17)/b11-8-,16-12+
InChIKeyKHAXGFKUYVOJCH-HLHGXTSASA-N
XLogP3.23
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
CID 54246930
N-hydroxy-N'-(4-methyl-1H-pyrazol-5-yl)propanimidamide
CID 54250230
N'-(4-ethyl-1H-pyrazol-5-yl)-N-hydroxypentanimidamide
CID 54452276
N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
5-dodecyl-4-methyl-1H-pyrazole
CID 173176780
N-(1-pyridin-4-ylpentylidene)hydroxylamine
CID 154164009
3-N,4-N-bis(3,4-dimethylphenyl)octane-3,4-diimine;nickel
CID 87910922
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104621856
ethane;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 144671830
diethyl (Z)-2-[(E)-(4-cyano-1H-pyrazol-5-yl)iminomethyl]-3-hydroxybut-2-enedioate
CID 135604484
1-(5-amino-1H-pyrazol-4-yl)nonan-1-one
CID 65360544
1-(5-amino-1H-pyrazol-4-yl)heptan-1-one
CID 65360495

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine?
The IUPAC name of (Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine (CID 163302595) is (Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine.
What is the SMILES notation for (Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine?
The canonical SMILES for (Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine is CCCCC(=C/N)/C(CC)=N/c1[nH]ncc1C.
What is the InChIKey of (Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine?
The InChIKey is KHAXGFKUYVOJCH-HLHGXTSASA-N. The full InChI is InChI=1S/C13H22N4/c1-4-6-7-11(8-14)12(5-2)16-13-10(3)9-15-17-13/h8-9H,4-7,14H2,1-3H3,(H,15,17)/b11-8-,16-12+.
What are the key properties of (Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine?
(Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine has a molecular weight of 234.35 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(E)-C-ethyl-N-(4-methyl-1H-pyrazol-5-yl)carbonimidoyl]hex-1-en-1-amine is sourced from PubChem (CID 163302595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).