N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide

C11H20N2 — CID 144619205

IUPACN'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide
SMILESCCC(C)=C(C)/N=C(\C)N=C(C)C
InChIInChI=1S/C11H20N2/c1-7-9(4)10(5)13-11(6)12-8(2)3/h7H2,1-6H3/b10-9?,13-11+
InChIKeyQHUCNXYCYVBNME-RBEUKITRSA-N
MW180.29 g/mol
LogP3.59
Rot. Bonds2

About N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide

N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide (PubChem CID 144619205) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide.

Molecular Properties

Compound NameN'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide
PubChem CID144619205
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide
SMILESCCC(C)=C(C)/N=C(\C)N=C(C)C
InChIInChI=1S/C11H20N2/c1-7-9(4)10(5)13-11(6)12-8(2)3/h7H2,1-6H3/b10-9?,13-11+
InChIKeyQHUCNXYCYVBNME-RBEUKITRSA-N
XLogP3.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
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

carbanide;4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium
CID 58651167
carbanide;2,4,6-trimethyl-5H-pyrimidin-5-ide;yttrium
CID 58651175
2,3,4-trimethylpent-2-ene;4,5,6-trimethyl-2H-pyrimidin-2-ide;yttrium
CID 59882463
N-(3-methylpent-2-en-2-yl)propan-2-imine
CID 123477094
N,N-dimethyl-N'-(3-methylpent-2-en-2-yl)ethanimidamide
CID 139818258
N-[(E)-3-methylpent-2-en-2-yl]propan-2-imine
CID 143444586
N'-[(E)-3,4-dimethylpent-2-en-2-yl]-N-methylideneethanimidamide
CID 154973119
N'-[(E)-3,4-dimethylpent-2-en-2-yl]ethanimidamide
CID 155206522
N'-(2-methylpent-2-en-3-yl)ethanimidamide
CID 163623333
N'-[(Z)-3-methylpent-2-en-2-yl]propanimidamide
CID 163921879
N'-(2,4-dimethylhex-3-en-3-yl)-N,N-dimethylethanimidamide;ethane
CID 172628054
N-[(5E)-5-butan-2-ylidene-2-methylimidazol-4-yl]propan-2-imine
CID 173821540

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide?
The IUPAC name of N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide (CID 144619205) is N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide.
What is the SMILES notation for N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide?
The canonical SMILES for N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide is CCC(C)=C(C)/N=C(\C)N=C(C)C.
What is the InChIKey of N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide?
The InChIKey is QHUCNXYCYVBNME-RBEUKITRSA-N. The full InChI is InChI=1S/C11H20N2/c1-7-9(4)10(5)13-11(6)12-8(2)3/h7H2,1-6H3/b10-9?,13-11+.
What are the key properties of N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide?
N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide has a molecular weight of 180.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylpent-2-en-2-yl)-N-propan-2-ylideneethanimidamide is sourced from PubChem (CID 144619205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).