N-(2-butan-2-ylsulfanylethyl)propan-1-amine

C9H21NS — CID 61385679

IUPACN-(2-butan-2-ylsulfanylethyl)propan-1-amine
SMILESCCCNCCSC(C)CC
InChIInChI=1S/C9H21NS/c1-4-6-10-7-8-11-9(3)5-2/h9-10H,4-8H2,1-3H3
InChIKeyRQNSHXNWISWAQS-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.52
Rot. Bonds7

About N-(2-butan-2-ylsulfanylethyl)propan-1-amine

N-(2-butan-2-ylsulfanylethyl)propan-1-amine (PubChem CID 61385679) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is N-(2-butan-2-ylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2-butan-2-ylsulfanylethyl)propan-1-amine
PubChem CID61385679
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC NameN-(2-butan-2-ylsulfanylethyl)propan-1-amine
SMILESCCCNCCSC(C)CC
InChIInChI=1S/C9H21NS/c1-4-6-10-7-8-11-9(3)5-2/h9-10H,4-8H2,1-3H3
InChIKeyRQNSHXNWISWAQS-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.52
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-(2-butan-2-ylsulfanylethyl)pentan-1-amine
CID 62576318
4-butan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64614458
N-(2-butan-2-ylsulfanylethyl)-2,2,2-trifluoroethanamine
CID 62579251
N-(2-butan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62577346
1-butan-2-ylsulfanylbutane
CID 525455
3-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine
CID 65141095
4-butan-2-ylsulfanyl-N-(2-methylpropyl)butan-1-amine
CID 62576731
N-(2-propan-2-ylsulfanylethyl)hexan-1-amine
CID 62579308
ethane;N-(2-methylsulfanylethyl)propan-1-amine
CID 144962889
4-butan-2-ylsulfanyl-N-propan-2-ylbutan-1-amine
CID 62576521
N-[(4-bromothiophen-2-yl)methyl]-2-butan-2-ylsulfanylethanamine
CID 62578187
3-[2-(ethylamino)ethylsulfanyl]butan-1-ol
CID 66135947

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylsulfanylethyl)propan-1-amine?
The IUPAC name of N-(2-butan-2-ylsulfanylethyl)propan-1-amine (CID 61385679) is N-(2-butan-2-ylsulfanylethyl)propan-1-amine.
What is the SMILES notation for N-(2-butan-2-ylsulfanylethyl)propan-1-amine?
The canonical SMILES for N-(2-butan-2-ylsulfanylethyl)propan-1-amine is CCCNCCSC(C)CC.
What is the InChIKey of N-(2-butan-2-ylsulfanylethyl)propan-1-amine?
The InChIKey is RQNSHXNWISWAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-4-6-10-7-8-11-9(3)5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(2-butan-2-ylsulfanylethyl)propan-1-amine?
N-(2-butan-2-ylsulfanylethyl)propan-1-amine has a molecular weight of 175.34 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 61385679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).