N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine

C10H19NS — CID 170274007

IUPACN-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine
SMILESC=CCC(SC(C)C)C(=C)NC
InChIInChI=1S/C10H19NS/c1-6-7-10(9(4)11-5)12-8(2)3/h6,8,10-11H,1,4,7H2,2-3,5H3
InChIKeyZYBDRAPNGWWDTG-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.81
Rot. Bonds6

About N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine

N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine (PubChem CID 170274007) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine.

Molecular Properties

Compound NameN-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine
PubChem CID170274007
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine
SMILESC=CCC(SC(C)C)C(=C)NC
InChIInChI=1S/C10H19NS/c1-6-7-10(9(4)11-5)12-8(2)3/h6,8,10-11H,1,4,7H2,2-3,5H3
InChIKeyZYBDRAPNGWWDTG-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine?
The IUPAC name of N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine (CID 170274007) is N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine.
What is the SMILES notation for N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine?
The canonical SMILES for N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine is C=CCC(SC(C)C)C(=C)NC.
What is the InChIKey of N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine?
The InChIKey is ZYBDRAPNGWWDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-6-7-10(9(4)11-5)12-8(2)3/h6,8,10-11H,1,4,7H2,2-3,5H3.
What are the key properties of N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine?
N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine has a molecular weight of 185.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-ylsulfanylhexa-1,5-dien-2-amine is sourced from PubChem (CID 170274007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).