N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine

C19H23NOS — CID 143759514

IUPACN-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine
SMILESC=C/C=C/C(CCSN(C)C)Oc1cccc2ccccc12
InChIInChI=1S/C19H23NOS/c1-4-5-11-17(14-15-22-20(2)3)21-19-13-8-10-16-9-6-7-12-18(16)19/h4-13,17H,1,14-15H2,2-3H3/b11-5+
InChIKeyLLQWYJBJALXRQW-VZUCSPMQSA-N
MW313.47 g/mol
LogP4.93
Rot. Bonds8

About N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine

N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine (PubChem CID 143759514) has the molecular formula C19H23NOS and a molecular weight of 313.47 g/mol. Its IUPAC name is N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine
PubChem CID143759514
Molecular FormulaC19H23NOS
Molecular Weight313.47 g/mol
Exact Mass313.15
IUPAC NameN-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine
SMILESC=C/C=C/C(CCSN(C)C)Oc1cccc2ccccc12
InChIInChI=1S/C19H23NOS/c1-4-5-11-17(14-15-22-20(2)3)21-19-13-8-10-16-9-6-7-12-18(16)19/h4-13,17H,1,14-15H2,2-3H3/b11-5+
InChIKeyLLQWYJBJALXRQW-VZUCSPMQSA-N
XLogP4.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine with MolForge

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Related Compounds

1-hex-4-en-3-yloxynaphthalene
CID 141024446
1-(1-naphthalen-1-yloxypropan-2-yloxy)naphthalene
CID 67649919
2-naphthalen-1-yloxypropan-1-ol
CID 13259427
3-naphthalen-1-yloxybutan-2-amine
CID 61353767
methylamino(naphthalen-1-yloxy)methanol
CID 173197602
(3S,4Z)-N-methyl-4-methylsulfanyl-3-naphthalen-1-yloxyhepta-4,6-dien-1-amine
CID 89078713
N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine
CID 46892772
1-naphthalen-1-yloxybutyl prop-2-enoate
CID 70262024
1-bromo-N,N-dimethyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine
CID 54238821
1-[ethoxy(methoxy)methoxy]naphthalene
CID 173038488
(2R,3R)-2-fluoro-N-methyl-3-naphthalen-1-yloxy-3-phenylpropan-1-amine;hydrochloride
CID 69274127
3-methyl-N-(2-naphthalen-1-yloxypropyl)butan-1-amine
CID 63506249

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine?
The IUPAC name of N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine (CID 143759514) is N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine.
What is the SMILES notation for N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine?
The canonical SMILES for N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine is C=C/C=C/C(CCSN(C)C)Oc1cccc2ccccc12.
What is the InChIKey of N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine?
The InChIKey is LLQWYJBJALXRQW-VZUCSPMQSA-N. The full InChI is InChI=1S/C19H23NOS/c1-4-5-11-17(14-15-22-20(2)3)21-19-13-8-10-16-9-6-7-12-18(16)19/h4-13,17H,1,14-15H2,2-3H3/b11-5+.
What are the key properties of N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine?
N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine has a molecular weight of 313.47 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4E)-3-naphthalen-1-yloxyhepta-4,6-dienyl]sulfanylmethanamine is sourced from PubChem (CID 143759514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).