N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine

C16H35NS — CID 65135629

IUPACN-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine
SMILESCCCCCCCCCC(CSCC(C)C)NC
InChIInChI=1S/C16H35NS/c1-5-6-7-8-9-10-11-12-16(17-4)14-18-13-15(2)3/h15-17H,5-14H2,1-4H3
InChIKeyLTEZZBAASPRIEY-UHFFFAOYSA-N
MW273.53 g/mol
LogP5.10
Rot. Bonds13

About N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine

N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine (PubChem CID 65135629) has the molecular formula C16H35NS and a molecular weight of 273.53 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine
PubChem CID65135629
Molecular FormulaC16H35NS
Molecular Weight273.53 g/mol
Exact Mass273.25
IUPAC NameN-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine
SMILESCCCCCCCCCC(CSCC(C)C)NC
InChIInChI=1S/C16H35NS/c1-5-6-7-8-9-10-11-12-16(17-4)14-18-13-15(2)3/h15-17H,5-14H2,1-4H3
InChIKeyLTEZZBAASPRIEY-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.53
LogP ≤ 55.10
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

N-methylheptadecan-9-amine;hydrochloride
CID 175813537
1-tert-butylsulfanyl-N-methylnonan-2-amine
CID 65132720
1-(2-methylpropylsulfanyl)-N-propylhexan-2-amine
CID 65135368
N-methylundecan-4-amine
CID 60996531
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
N-methyl-1-pentylsulfanylpentan-2-amine
CID 107763052
N-methyl-1-(2-methylpropylsulfanyl)-5-phenylpentan-2-amine
CID 65135577
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
2-(methylamino)hexadecan-1-ol
CID 118696061
2-methylpentaoctacontane
CID 90745672
2-methyldecane
CID 23415

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine?
The IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine (CID 65135629) is N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine?
The canonical SMILES for N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine is CCCCCCCCCC(CSCC(C)C)NC.
What is the InChIKey of N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine?
The InChIKey is LTEZZBAASPRIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NS/c1-5-6-7-8-9-10-11-12-16(17-4)14-18-13-15(2)3/h15-17H,5-14H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine?
N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine has a molecular weight of 273.53 g/mol, XLogP of 5.10, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropylsulfanyl)undecan-2-amine is sourced from PubChem (CID 65135629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).