N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine

C18H31NS — CID 167299736

IUPACN-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine
SMILESC=CCCC(=C)N(C)CC(=C)CCSC(=C)CC(C)C
InChIInChI=1S/C18H31NS/c1-8-9-10-17(5)19(7)14-16(4)11-12-20-18(6)13-15(2)3/h8,15H,1,4-6,9-14H2,2-3,7H3
InChIKeyHXYRWEOGZYPKHE-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.64
Rot. Bonds12

About N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine

N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine (PubChem CID 167299736) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine
PubChem CID167299736
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine
SMILESC=CCCC(=C)N(C)CC(=C)CCSC(=C)CC(C)C
InChIInChI=1S/C18H31NS/c1-8-9-10-17(5)19(7)14-16(4)11-12-20-18(6)13-15(2)3/h8,15H,1,4-6,9-14H2,2-3,7H3
InChIKeyHXYRWEOGZYPKHE-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine with MolForge

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Related Compounds

N,4-dimethyl-3-methylidene-N-(4-propan-2-ylsulfanylbut-1-en-2-yl)pentan-2-amine
CID 132136646
N-methyl-N-propan-2-yl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine
CID 155432673
Dimethyl-[3-methyl-1-[methyl-(3-propan-2-ylcyclopropen-1-yl)amino]butan-2-yl]sulfanium
CID 163587618
3-[3-(aminomethyl)penta-3,4-dienylsulfanyl]-N,N-dimethylhexa-1,5-dien-2-amine
CID 166894881
5-ethylsulfanyl-N-[(3Z)-hexa-1,3,5-trien-2-yl]-N-methyl-4-methylidenehexan-1-amine
CID 167249802
N-ethenyl-2-methylidene-4-methylsulfanyl-N-pent-1-en-2-ylbutan-1-amine
CID 167300701
2,5-Dimethylidene-1-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]pyrrolidine
CID 167303337
N-methyl-N-(3-methylbutyl)-4-methylsulfanylhexa-1,5-dien-2-amine
CID 169916691
N-[4-(2,5-dimethylhexa-1,5-dien-3-ylsulfanyl)-3-methylbut-1-en-2-yl]-N,3-dimethyl-2-methylidenebutan-1-amine
CID 170045283
N,4-dimethyl-N-(1-prop-2-enylsulfanylethyl)hex-1-en-2-amine
CID 174335647

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine?
The IUPAC name of N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine (CID 167299736) is N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine.
What is the SMILES notation for N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine?
The canonical SMILES for N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine is C=CCCC(=C)N(C)CC(=C)CCSC(=C)CC(C)C.
What is the InChIKey of N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine?
The InChIKey is HXYRWEOGZYPKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-8-9-10-17(5)19(7)14-16(4)11-12-20-18(6)13-15(2)3/h8,15H,1,4-6,9-14H2,2-3,7H3.
What are the key properties of N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine?
N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine has a molecular weight of 293.52 g/mol, XLogP of 5.64, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methylidene-4-(4-methylpent-1-en-2-ylsulfanyl)butyl]hexa-1,5-dien-2-amine is sourced from PubChem (CID 167299736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).