N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene

C15H22N2S — CID 170733991

IUPACN-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene
SMILESC=C(C)Sc1cc(C(=C)C)ccc1C.C=NNC
InChIInChI=1S/C13H16S.C2H6N2/c1-9(2)12-7-6-11(5)13(8-12)14-10(3)4;1-3-4-2/h6-8H,1,3H2,2,4-5H3;4H,1H2,2H3
InChIKeyGMURECZHGCNTKY-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.48
Rot. Bonds4

About N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene

N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene (PubChem CID 170733991) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene.

Molecular Properties

Compound NameN-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene
PubChem CID170733991
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene
SMILESC=C(C)Sc1cc(C(=C)C)ccc1C.C=NNC
InChIInChI=1S/C13H16S.C2H6N2/c1-9(2)12-7-6-11(5)13(8-12)14-10(3)4;1-3-4-2/h6-8H,1,3H2,2,4-5H3;4H,1H2,2H3
InChIKeyGMURECZHGCNTKY-UHFFFAOYSA-N
XLogP4.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-prop-1-en-2-ylbenzene;1,2,4-trimethylbenzene
CID 143923034
CID 91125880
CID 91125880
2-(difluoromethyl)-1-methyl-4-prop-1-en-2-ylbenzene
CID 155472911
N-(4-methylphenyl)-N'-(2-methyl-5-prop-1-en-2-ylphenyl)ethanimidamide
CID 143756713
4-methyl-3-(3-methylbut-1-en-2-ylsulfanyl)benzoic acid
CID 155722455
N-(2-methyl-5-prop-1-en-2-ylphenyl)formamide
CID 143698511
4-fluoro-2-methyl-1-prop-1-en-2-ylsulfanylbenzene
CID 146649535
4-methyl-2-prop-1-en-2-ylsulfanylaniline
CID 142274466
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
1-methyl-2-(4-methylcyclopenta-1,3-dien-1-yl)-4-prop-1-en-2-ylbenzene
CID 144513780
2-methyl-4-prop-1-en-2-ylbenzoic acid
CID 130288134
methyl 3-(dimethylcarbamoylsulfanyl)-4-methylbenzoate
CID 20800578

Frequently Asked Questions

What is the IUPAC name of N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene?
The IUPAC name of N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene (CID 170733991) is N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene.
What is the SMILES notation for N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene?
The canonical SMILES for N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene is C=C(C)Sc1cc(C(=C)C)ccc1C.C=NNC.
What is the InChIKey of N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene?
The InChIKey is GMURECZHGCNTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S.C2H6N2/c1-9(2)12-7-6-11(5)13(8-12)14-10(3)4;1-3-4-2/h6-8H,1,3H2,2,4-5H3;4H,1H2,2H3.
What are the key properties of N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene?
N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene has a molecular weight of 262.42 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylideneamino)methanamine;1-methyl-4-prop-1-en-2-yl-2-prop-1-en-2-ylsulfanylbenzene is sourced from PubChem (CID 170733991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).