N-methyl-3-propylsulfanylbutan-1-amine

C8H19NS — CID 154950911

IUPACN-methyl-3-propylsulfanylbutan-1-amine
SMILESCCCSC(C)CCNC
InChIInChI=1S/C8H19NS/c1-4-7-10-8(2)5-6-9-3/h8-9H,4-7H2,1-3H3
InChIKeyCUBKSRRUIXCYSD-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.13
Rot. Bonds6

About N-methyl-3-propylsulfanylbutan-1-amine

N-methyl-3-propylsulfanylbutan-1-amine (PubChem CID 154950911) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-methyl-3-propylsulfanylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-3-propylsulfanylbutan-1-amine
PubChem CID154950911
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-methyl-3-propylsulfanylbutan-1-amine
SMILESCCCSC(C)CCNC
InChIInChI=1S/C8H19NS/c1-4-7-10-8(2)5-6-9-3/h8-9H,4-7H2,1-3H3
InChIKeyCUBKSRRUIXCYSD-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(methylamino)propylsulfanyl]butan-1-amine
CID 106318364
N,3-dimethylnonan-1-amine
CID 81019354
N,3,6-trimethylnonan-1-amine
CID 139316935
1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine
CID 22450282
ethane;3-ethoxy-N-methylbutan-1-amine
CID 172587182
(5R)-N,5-dimethylnonan-1-amine
CID 130290865
3-methyl-1-pentan-2-ylsulfanylpentane
CID 123198339
1-ethylsulfanyl-3-(methylamino)propane-1-thiol
CID 87497930
3-[4-(methylamino)hexylsulfanyl]butan-1-ol
CID 106808476
N,3-dimethylpentan-1-amine;ethane
CID 142089517
3-[2-(ethylamino)ethylsulfanyl]butan-1-ol
CID 66135947
4-butan-2-ylsulfanyl-N-propylbutan-2-amine
CID 64614458

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propylsulfanylbutan-1-amine?
The IUPAC name of N-methyl-3-propylsulfanylbutan-1-amine (CID 154950911) is N-methyl-3-propylsulfanylbutan-1-amine.
What is the SMILES notation for N-methyl-3-propylsulfanylbutan-1-amine?
The canonical SMILES for N-methyl-3-propylsulfanylbutan-1-amine is CCCSC(C)CCNC.
What is the InChIKey of N-methyl-3-propylsulfanylbutan-1-amine?
The InChIKey is CUBKSRRUIXCYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-4-7-10-8(2)5-6-9-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N-methyl-3-propylsulfanylbutan-1-amine?
N-methyl-3-propylsulfanylbutan-1-amine has a molecular weight of 161.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propylsulfanylbutan-1-amine is sourced from PubChem (CID 154950911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).