2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine

C10H23NS — CID 143855186

IUPAC2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine
SMILESCC(C)SNCC(C)C(C)(C)C
InChIInChI=1S/C10H23NS/c1-8(2)12-11-7-9(3)10(4,5)6/h8-9,11H,7H2,1-6H3
InChIKeyXPNWODDUQWLHGA-UHFFFAOYSA-N
MW189.37 g/mol
LogP3.31
Rot. Bonds4

About 2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine

2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine (PubChem CID 143855186) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine
PubChem CID143855186
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine
SMILESCC(C)SNCC(C)C(C)(C)C
InChIInChI=1S/C10H23NS/c1-8(2)12-11-7-9(3)10(4,5)6/h8-9,11H,7H2,1-6H3
InChIKeyXPNWODDUQWLHGA-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-N-(2,3,3-trimethylbutyl)pentan-2-amine
CID 89116357
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
1-(2-methylpropyl)-3-(2,3,3-trimethylbutyl)thiourea
CID 115629343
2-methyl-2-[(2,3,3-trimethylbutylamino)methyl]propane-1,3-diol
CID 83144416
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
N-(1,1-dimethoxypropan-2-yl)-2,3,3-trimethylbutan-1-amine
CID 83142750
1-propan-2-yl-3-(2,3,3-trimethylbutyl)urea
CID 115629659
2,3,3-trimethyl-N-(3-methylbut-3-enyl)butan-1-amine
CID 114472495
2-ethyl-1-N-(2,3,3-trimethylbutyl)butane-1,2-diamine
CID 83143771
N'-propan-2-yl-N-(2,3,3-trimethylbutyl)propane-1,3-diamine
CID 83144622
2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 83143358
3-amino-2,2,3-trimethyl-N-(2,3,3-trimethylbutyl)butanamide
CID 83142759

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine (CID 143855186) is 2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine is CC(C)SNCC(C)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine?
The InChIKey is XPNWODDUQWLHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-8(2)12-11-7-9(3)10(4,5)6/h8-9,11H,7H2,1-6H3.
What are the key properties of 2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine?
2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-propan-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 143855186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).