N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene

C13H26N2 — CID 143582585

IUPACN'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene
SMILESC/C(N)=N\C(C)/C=C\C(C)(C)C.C=CC
InChIInChI=1S/C10H20N2.C3H6/c1-8(12-9(2)11)6-7-10(3,4)5;1-3-2/h6-8H,1-5H3,(H2,11,12);3H,1H2,2H3/b7-6-;
InChIKeySXVIKRTWGJRAQQ-NAFXZHHSSA-N
MW210.36 g/mol
LogP3.55
Rot. Bonds2

About N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene

N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene (PubChem CID 143582585) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene.

Molecular Properties

Compound NameN'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene
PubChem CID143582585
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene
SMILESC/C(N)=N\C(C)/C=C\C(C)(C)C.C=CC
InChIInChI=1S/C10H20N2.C3H6/c1-8(12-9(2)11)6-7-10(3,4)5;1-3-2/h6-8H,1-5H3,(H2,11,12);3H,1H2,2H3/b7-6-;
InChIKeySXVIKRTWGJRAQQ-NAFXZHHSSA-N
XLogP3.55
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.55
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene?
The IUPAC name of N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene (CID 143582585) is N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene.
What is the SMILES notation for N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene?
The canonical SMILES for N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene is C/C(N)=N\C(C)/C=C\C(C)(C)C.C=CC.
What is the InChIKey of N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene?
The InChIKey is SXVIKRTWGJRAQQ-NAFXZHHSSA-N. The full InChI is InChI=1S/C10H20N2.C3H6/c1-8(12-9(2)11)6-7-10(3,4)5;1-3-2/h6-8H,1-5H3,(H2,11,12);3H,1H2,2H3/b7-6-;.
What are the key properties of N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene?
N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene has a molecular weight of 210.36 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-5,5-dimethylhex-3-en-2-yl]ethanimidamide;prop-1-ene is sourced from PubChem (CID 143582585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).