1-(1,4-dithian-2-yl)-N-methylnonan-1-amine

C14H29NS2 — CID 79965382

IUPAC1-(1,4-dithian-2-yl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)C1CSCCS1
InChIInChI=1S/C14H29NS2/c1-3-4-5-6-7-8-9-13(15-2)14-12-16-10-11-17-14/h13-15H,3-12H2,1-2H3
InChIKeyBJWGVIFTHNIKEH-UHFFFAOYSA-N
MW275.53 g/mol
LogP4.17
Rot. Bonds9

About 1-(1,4-dithian-2-yl)-N-methylnonan-1-amine

1-(1,4-dithian-2-yl)-N-methylnonan-1-amine (PubChem CID 79965382) has the molecular formula C14H29NS2 and a molecular weight of 275.53 g/mol. Its IUPAC name is 1-(1,4-dithian-2-yl)-N-methylnonan-1-amine.

Molecular Properties

Compound Name1-(1,4-dithian-2-yl)-N-methylnonan-1-amine
PubChem CID79965382
Molecular FormulaC14H29NS2
Molecular Weight275.53 g/mol
Exact Mass275.17
IUPAC Name1-(1,4-dithian-2-yl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)C1CSCCS1
InChIInChI=1S/C14H29NS2/c1-3-4-5-6-7-8-9-13(15-2)14-12-16-10-11-17-14/h13-15H,3-12H2,1-2H3
InChIKeyBJWGVIFTHNIKEH-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,4-dithian-2-yl)-N-methylpropan-1-amine
CID 79966250
1-(1,4-dithian-2-yl)-N,3-dimethylhexan-1-amine
CID 79966638
[1-(1,4-dithian-2-yl)-5-methylhexyl]hydrazine
CID 105249466
1-(3-ethyl-1,4-dithian-2-yl)-N-methyloctan-1-amine
CID 115387777
1-(thian-2-yl)nonylhydrazine
CID 105255737
N-methyl-1-(1,4-oxathian-2-yl)hexan-1-amine
CID 79962336
1-(1,4-dithian-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 79965964
1-(1,4-dithian-2-yl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 79966252
N-methyl-1-(2-methylcyclopropyl)undecan-1-amine
CID 65419745
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538
N-methyl-1-(4-methylcyclohexyl)nonan-1-amine
CID 63415649
N-methyl-1-(4-propan-2-ylcyclohexyl)heptan-1-amine
CID 65425541

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-yl)-N-methylnonan-1-amine?
The IUPAC name of 1-(1,4-dithian-2-yl)-N-methylnonan-1-amine (CID 79965382) is 1-(1,4-dithian-2-yl)-N-methylnonan-1-amine.
What is the SMILES notation for 1-(1,4-dithian-2-yl)-N-methylnonan-1-amine?
The canonical SMILES for 1-(1,4-dithian-2-yl)-N-methylnonan-1-amine is CCCCCCCCC(NC)C1CSCCS1.
What is the InChIKey of 1-(1,4-dithian-2-yl)-N-methylnonan-1-amine?
The InChIKey is BJWGVIFTHNIKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS2/c1-3-4-5-6-7-8-9-13(15-2)14-12-16-10-11-17-14/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-(1,4-dithian-2-yl)-N-methylnonan-1-amine?
1-(1,4-dithian-2-yl)-N-methylnonan-1-amine has a molecular weight of 275.53 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-yl)-N-methylnonan-1-amine is sourced from PubChem (CID 79965382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).