1-tert-butylsulfanyl-N-methylnonan-2-amine

C14H31NS — CID 65132720

IUPAC1-tert-butylsulfanyl-N-methylnonan-2-amine
SMILESCCCCCCCC(CSC(C)(C)C)NC
InChIInChI=1S/C14H31NS/c1-6-7-8-9-10-11-13(15-5)12-16-14(2,3)4/h13,15H,6-12H2,1-5H3
InChIKeyHZDWJLDCORISQY-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.47
Rot. Bonds9

About 1-tert-butylsulfanyl-N-methylnonan-2-amine

1-tert-butylsulfanyl-N-methylnonan-2-amine (PubChem CID 65132720) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is 1-tert-butylsulfanyl-N-methylnonan-2-amine.

Molecular Properties

Compound Name1-tert-butylsulfanyl-N-methylnonan-2-amine
PubChem CID65132720
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Name1-tert-butylsulfanyl-N-methylnonan-2-amine
SMILESCCCCCCCC(CSC(C)(C)C)NC
InChIInChI=1S/C14H31NS/c1-6-7-8-9-10-11-13(15-5)12-16-14(2,3)4/h13,15H,6-12H2,1-5H3
InChIKeyHZDWJLDCORISQY-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 54.47
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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Related Compounds

1-tert-butylsulfanylheptan-2-ylhydrazine
CID 105226571
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine
CID 65135629
N-methylundecan-4-amine
CID 60996531
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
(2R)-1-tert-butylsulfanyloctan-2-ol
CID 10856971
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
2-(methylamino)hexadecan-1-ol
CID 118696061
N-methyl-1-methylsulfonyldodecan-2-amine
CID 55093567
1-cyclopentylsulfanyl-N-methyloctan-2-amine
CID 65138560
1-tert-butylsulfanyl-N-ethyl-6-methylheptan-2-amine
CID 83162216

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsulfanyl-N-methylnonan-2-amine?
The IUPAC name of 1-tert-butylsulfanyl-N-methylnonan-2-amine (CID 65132720) is 1-tert-butylsulfanyl-N-methylnonan-2-amine.
What is the SMILES notation for 1-tert-butylsulfanyl-N-methylnonan-2-amine?
The canonical SMILES for 1-tert-butylsulfanyl-N-methylnonan-2-amine is CCCCCCCC(CSC(C)(C)C)NC.
What is the InChIKey of 1-tert-butylsulfanyl-N-methylnonan-2-amine?
The InChIKey is HZDWJLDCORISQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NS/c1-6-7-8-9-10-11-13(15-5)12-16-14(2,3)4/h13,15H,6-12H2,1-5H3.
What are the key properties of 1-tert-butylsulfanyl-N-methylnonan-2-amine?
1-tert-butylsulfanyl-N-methylnonan-2-amine has a molecular weight of 245.48 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsulfanyl-N-methylnonan-2-amine is sourced from PubChem (CID 65132720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).