N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine

C10H23NS — CID 107754136

IUPACN,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine
SMILESCNCC(C)CSC(C)C(C)C
InChIInChI=1S/C10H23NS/c1-8(2)10(4)12-7-9(3)6-11-5/h8-11H,6-7H2,1-5H3
InChIKeyQKUJTHDSDKSARA-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.62
Rot. Bonds6

About N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine

N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine (PubChem CID 107754136) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine
PubChem CID107754136
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine
SMILESCNCC(C)CSC(C)C(C)C
InChIInChI=1S/C10H23NS/c1-8(2)10(4)12-7-9(3)6-11-5/h8-11H,6-7H2,1-5H3
InChIKeyQKUJTHDSDKSARA-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-[2-methyl-3-(3-methylbutan-2-ylsulfanyl)propyl]cyclopropanamine
CID 107754118
2-methyl-3-(methylamino)propan-1-ol
CID 23264324
(2S)-N,2,4-trimethylpentan-1-amine
CID 90327710
2-methyl-3-[3-(methylamino)butan-2-ylsulfanyl]propan-1-ol
CID 66103224
N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine
CID 102913460
1-bromo-3-methyl-2-(3-methylbutan-2-ylsulfanylmethyl)butane
CID 107746900
ethane;N,2,4-trimethylpentan-1-amine
CID 142844862
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
(2S,4S)-4-methyl-5-(methylamino)pentan-2-ol
CID 155217722
N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine
CID 103285664
N,N',2-trimethylpentane-1,5-diamine
CID 18952778
N,2-dimethyl-3-propan-2-yloxypropan-1-amine
CID 103635829

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine?
The IUPAC name of N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine (CID 107754136) is N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine is CNCC(C)CSC(C)C(C)C.
What is the InChIKey of N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine?
The InChIKey is QKUJTHDSDKSARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-8(2)10(4)12-7-9(3)6-11-5/h8-11H,6-7H2,1-5H3.
What are the key properties of N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine?
N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 107754136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).