N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine

C13H29NS — CID 115895379

IUPACN-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(C)NC(C)CSC(C)(C)C
InChIInChI=1S/C13H29NS/c1-10(2)8-11(3)14-12(4)9-15-13(5,6)7/h10-12,14H,8-9H2,1-7H3
InChIKeyLRIAWJZPGVPSTP-UHFFFAOYSA-N
MW231.45 g/mol
LogP3.93
Rot. Bonds6

About N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine

N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine (PubChem CID 115895379) has the molecular formula C13H29NS and a molecular weight of 231.45 g/mol. Its IUPAC name is N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine
PubChem CID115895379
Molecular FormulaC13H29NS
Molecular Weight231.45 g/mol
Exact Mass231.20
IUPAC NameN-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(C)NC(C)CSC(C)(C)C
InChIInChI=1S/C13H29NS/c1-10(2)8-11(3)14-12(4)9-15-13(5,6)7/h10-12,14H,8-9H2,1-7H3
InChIKeyLRIAWJZPGVPSTP-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-tert-butylsulfanylpropan-2-yl)-1-ethylsulfanylpropan-2-amine
CID 115725661
1-tert-butylsulfanyl-N-ethyl-4,6-dimethylheptan-2-amine
CID 114200920
(2R)-2-[[(2R)-4-methylpentan-2-yl]amino]propan-1-ol
CID 93082853
1-tert-butylsulfanyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706189
N-(4-ethylsulfanylbutan-2-yl)-4-methylpentan-2-amine
CID 115725466
3-(4-methylpentan-2-ylamino)butanenitrile
CID 60914493
1-tert-butylsulfanyl-N,3-dimethylbutan-2-amine
CID 65132391
N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide
CID 89088589
N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine
CID 115713891
1-tert-butylsulfanyl-N-(2-ethylsulfonylethyl)propan-2-amine
CID 115716483
N-(1-tert-butylsulfanylpropan-2-yl)-4-methylaniline
CID 115916778
2-(1-tert-butylsulfanylpropan-2-ylamino)-2-methylpentan-1-ol
CID 115920407

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine?
The IUPAC name of N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine (CID 115895379) is N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine.
What is the SMILES notation for N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine?
The canonical SMILES for N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine is CC(C)CC(C)NC(C)CSC(C)(C)C.
What is the InChIKey of N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine?
The InChIKey is LRIAWJZPGVPSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NS/c1-10(2)8-11(3)14-12(4)9-15-13(5,6)7/h10-12,14H,8-9H2,1-7H3.
What are the key properties of N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine?
N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine has a molecular weight of 231.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylsulfanylpropan-2-yl)-4-methylpentan-2-amine is sourced from PubChem (CID 115895379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).