N-methyl-1-(thian-4-yl)non-8-en-2-amine

C15H29NS — CID 107011659

IUPACN-methyl-1-(thian-4-yl)non-8-en-2-amine
SMILESC=CCCCCCC(CC1CCSCC1)NC
InChIInChI=1S/C15H29NS/c1-3-4-5-6-7-8-15(16-2)13-14-9-11-17-12-10-14/h3,14-16H,1,4-13H2,2H3
InChIKeyHMRJDJDVKYZNAF-UHFFFAOYSA-N
MW255.47 g/mol
LogP4.24
Rot. Bonds9

About N-methyl-1-(thian-4-yl)non-8-en-2-amine

N-methyl-1-(thian-4-yl)non-8-en-2-amine (PubChem CID 107011659) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is N-methyl-1-(thian-4-yl)non-8-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-(thian-4-yl)non-8-en-2-amine
PubChem CID107011659
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC NameN-methyl-1-(thian-4-yl)non-8-en-2-amine
SMILESC=CCCCCCC(CC1CCSCC1)NC
InChIInChI=1S/C15H29NS/c1-3-4-5-6-7-8-15(16-2)13-14-9-11-17-12-10-14/h3,14-16H,1,4-13H2,2H3
InChIKeyHMRJDJDVKYZNAF-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107012091
5-methoxy-N-methyl-1-(thian-4-yl)pentan-2-amine
CID 105190189
1-(1,3-dioxolan-2-yl)-N-methylnon-8-en-2-amine
CID 107011903
1-cyclopentyl-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105138955
N-methylpentadec-1-en-8-amine
CID 107011425
1-cyclohexyl-N-ethylnon-8-en-2-amine
CID 107011937
N-ethyl-1-(thian-4-yl)nonan-2-amine
CID 105125122
1-cyclohexyl-N-methyloct-7-en-1-amine
CID 107008890
N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107011890
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
25-methylhexacos-1-ene
CID 141407501

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(thian-4-yl)non-8-en-2-amine?
The IUPAC name of N-methyl-1-(thian-4-yl)non-8-en-2-amine (CID 107011659) is N-methyl-1-(thian-4-yl)non-8-en-2-amine.
What is the SMILES notation for N-methyl-1-(thian-4-yl)non-8-en-2-amine?
The canonical SMILES for N-methyl-1-(thian-4-yl)non-8-en-2-amine is C=CCCCCCC(CC1CCSCC1)NC.
What is the InChIKey of N-methyl-1-(thian-4-yl)non-8-en-2-amine?
The InChIKey is HMRJDJDVKYZNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-3-4-5-6-7-8-15(16-2)13-14-9-11-17-12-10-14/h3,14-16H,1,4-13H2,2H3.
What are the key properties of N-methyl-1-(thian-4-yl)non-8-en-2-amine?
N-methyl-1-(thian-4-yl)non-8-en-2-amine has a molecular weight of 255.47 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(thian-4-yl)non-8-en-2-amine is sourced from PubChem (CID 107011659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).