N-methyl-N-(methylsulfanylmethyl)hexan-1-amine

C9H21NS — CID 167041563

IUPACN-methyl-N-(methylsulfanylmethyl)hexan-1-amine
SMILESCCCCCCN(C)CSC
InChIInChI=1S/C9H21NS/c1-4-5-6-7-8-10(2)9-11-3/h4-9H2,1-3H3
InChIKeyABHGWTDHLMVTCF-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.82
Rot. Bonds7

About N-methyl-N-(methylsulfanylmethyl)hexan-1-amine

N-methyl-N-(methylsulfanylmethyl)hexan-1-amine (PubChem CID 167041563) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N-methyl-N-(methylsulfanylmethyl)hexan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(methylsulfanylmethyl)hexan-1-amine
PubChem CID167041563
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN-methyl-N-(methylsulfanylmethyl)hexan-1-amine
SMILESCCCCCCN(C)CSC
InChIInChI=1S/C9H21NS/c1-4-5-6-7-8-10(2)9-11-3/h4-9H2,1-3H3
InChIKeyABHGWTDHLMVTCF-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N-butyl-N-methylbutan-1-amine;N-decyl-N-methyldecan-1-amine;N-dodecyl-N-methyldodecan-1-amine;N-hexyl-N-methylhexan-1-amine;N-methyl-N-octyloctan-1-amine
CID 158494739
N-methyl-N-propyldecan-1-amine
CID 13122225

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(methylsulfanylmethyl)hexan-1-amine?
The IUPAC name of N-methyl-N-(methylsulfanylmethyl)hexan-1-amine (CID 167041563) is N-methyl-N-(methylsulfanylmethyl)hexan-1-amine.
What is the SMILES notation for N-methyl-N-(methylsulfanylmethyl)hexan-1-amine?
The canonical SMILES for N-methyl-N-(methylsulfanylmethyl)hexan-1-amine is CCCCCCN(C)CSC.
What is the InChIKey of N-methyl-N-(methylsulfanylmethyl)hexan-1-amine?
The InChIKey is ABHGWTDHLMVTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-4-5-6-7-8-10(2)9-11-3/h4-9H2,1-3H3.
What are the key properties of N-methyl-N-(methylsulfanylmethyl)hexan-1-amine?
N-methyl-N-(methylsulfanylmethyl)hexan-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(methylsulfanylmethyl)hexan-1-amine is sourced from PubChem (CID 167041563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).