N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine

C10H17NS — CID 167244832

IUPACN-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine
SMILESC=C=C(CCCNC)S/C=C\C
InChIInChI=1S/C10H17NS/c1-4-9-12-10(5-2)7-6-8-11-3/h4,9,11H,2,6-8H2,1,3H3/b9-4-
InChIKeyMNNLKPMMNNULHF-WTKPLQERSA-N
MW183.32 g/mol
LogP2.92
Rot. Bonds6

About N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine

N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine (PubChem CID 167244832) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine.

Molecular Properties

Compound NameN-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine
PubChem CID167244832
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC NameN-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine
SMILESC=C=C(CCCNC)S/C=C\C
InChIInChI=1S/C10H17NS/c1-4-9-12-10(5-2)7-6-8-11-3/h4,9,11H,2,6-8H2,1,3H3/b9-4-
InChIKeyMNNLKPMMNNULHF-WTKPLQERSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine?
The IUPAC name of N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine (CID 167244832) is N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine.
What is the SMILES notation for N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine?
The canonical SMILES for N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine is C=C=C(CCCNC)S/C=C\C.
What is the InChIKey of N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine?
The InChIKey is MNNLKPMMNNULHF-WTKPLQERSA-N. The full InChI is InChI=1S/C10H17NS/c1-4-9-12-10(5-2)7-6-8-11-3/h4,9,11H,2,6-8H2,1,3H3/b9-4-.
What are the key properties of N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine?
N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine has a molecular weight of 183.32 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(Z)-prop-1-enyl]sulfanylhexa-4,5-dien-1-amine is sourced from PubChem (CID 167244832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).