N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide

C12H24N2 — CID 143671300

IUPACN-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide
SMILESC/C=C(\N/C(C)=N/CCC)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-7-9-13-10(3)14-11(8-2)12(4,5)6/h8H,7,9H2,1-6H3,(H,13,14)/b11-8-
InChIKeyHSBOJBSSOKLXRL-FLIBITNWSA-N
MW196.34 g/mol
LogP3.35
Rot. Bonds3

About N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide

N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide (PubChem CID 143671300) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide
PubChem CID143671300
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide
SMILESC/C=C(\N/C(C)=N/CCC)C(C)(C)C
InChIInChI=1S/C12H24N2/c1-7-9-13-10(3)14-11(8-2)12(4,5)6/h8H,7,9H2,1-6H3,(H,13,14)/b11-8-
InChIKeyHSBOJBSSOKLXRL-FLIBITNWSA-N
XLogP3.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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',2,2-trimethyl-N-[(Z)-5,5,5-trifluoropent-2-en-2-yl]propanimidamide
CID 141872699
6-Tert-butyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 91449481
Ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium
CID 123212275
N-(3,3-dimethylbut-1-en-2-yl)-N'-ethenylpropanimidamide
CID 126547303
N-[(3Z,5E)-2,5-dimethylocta-3,5,7-trien-3-yl]-N'-ethenylethanimidamide
CID 130179060
N-[(Z)-hept-3-en-3-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 132001887
4-Tert-butyl-2,6-dimethyl-1,4-dihydropyrimidine
CID 134478713
N,4,4,6-tetramethyl-1,3-dihydropyridin-2-imine
CID 135601357
N-butyl-3,3,5-trimethyl-1H-pyrrol-2-imine
CID 137175445
N,3,3,5-tetramethyl-1H-pyrrol-2-imine
CID 137219259
N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide
CID 139497311
N-[(2E,4E)-2-amino-5-methylhepta-2,4-dien-4-yl]-N',2,2-trimethylpropanimidamide
CID 144115549

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide?
The IUPAC name of N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide (CID 143671300) is N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide.
What is the SMILES notation for N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide?
The canonical SMILES for N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide is C/C=C(\N/C(C)=N/CCC)C(C)(C)C.
What is the InChIKey of N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide?
The InChIKey is HSBOJBSSOKLXRL-FLIBITNWSA-N. The full InChI is InChI=1S/C12H24N2/c1-7-9-13-10(3)14-11(8-2)12(4,5)6/h8H,7,9H2,1-6H3,(H,13,14)/b11-8-.
What are the key properties of N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide?
N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4,4-dimethylpent-2-en-3-yl]-N'-propylethanimidamide is sourced from PubChem (CID 143671300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).