2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide

C12H22N2 — CID 155274497

IUPAC2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide
SMILESC=C(CC)C(/N=C(\N)C(C)C)=C(C)C
InChIInChI=1S/C12H22N2/c1-7-10(6)11(8(2)3)14-12(13)9(4)5/h9H,6-7H2,1-5H3,(H2,13,14)
InChIKeyMQKCHGSVXFQZRS-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.26
Rot. Bonds4

About 2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide

2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide (PubChem CID 155274497) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide.

Molecular Properties

Compound Name2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide
PubChem CID155274497
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide
SMILESC=C(CC)C(/N=C(\N)C(C)C)=C(C)C
InChIInChI=1S/C12H22N2/c1-7-10(6)11(8(2)3)14-12(13)9(4)5/h9H,6-7H2,1-5H3,(H2,13,14)
InChIKeyMQKCHGSVXFQZRS-UHFFFAOYSA-N
XLogP3.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.26
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

CID 145143723
CID 145143723
CID 89199424
CID 89199424
CID 89351277
CID 89351277
CID 91142648
CID 91142648
CID 123384481
CID 123384481
CID 123487505
CID 123487505
CID 129058386
CID 129058386
CID 129058528
CID 129058528
CID 130472311
CID 130472311
CID 132186698
CID 132186698
CID 135257456
CID 135257456
CID 138473649
CID 138473649

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide?
The IUPAC name of 2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide (CID 155274497) is 2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide.
What is the SMILES notation for 2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide?
The canonical SMILES for 2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide is C=C(CC)C(/N=C(\N)C(C)C)=C(C)C.
What is the InChIKey of 2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide?
The InChIKey is MQKCHGSVXFQZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-7-10(6)11(8(2)3)14-12(13)9(4)5/h9H,6-7H2,1-5H3,(H2,13,14).
What are the key properties of 2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide?
2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide has a molecular weight of 194.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-methyl-4-methylidenehex-2-en-3-yl)propanimidamide is sourced from PubChem (CID 155274497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).