N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine

C10H23NS — CID 90709413

IUPACN-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine
SMILESCCCN(C)CSCCC(C)C
InChIInChI=1S/C10H23NS/c1-5-7-11(4)9-12-8-6-10(2)3/h10H,5-9H2,1-4H3
InChIKeyDSOSJWWDLSSLBR-UHFFFAOYSA-N
MW189.37 g/mol
LogP3.07
Rot. Bonds7

About N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine

N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine (PubChem CID 90709413) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine
PubChem CID90709413
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC NameN-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine
SMILESCCCN(C)CSCCC(C)C
InChIInChI=1S/C10H23NS/c1-5-7-11(4)9-12-8-6-10(2)3/h10H,5-9H2,1-4H3
InChIKeyDSOSJWWDLSSLBR-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Isobutyl 2-diethylaminoethyl sulfide
CID 58756929
1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl-
CID 30930
(Isobutylthiomethyl)triethylammonium iodide
CID 3026717
N,N-diethyl-1-ethylsulfanylpropan-1-amine
CID 57024689
N,N,2,2-tetramethyl-3-methylsulfanylpropan-1-amine
CID 58662027
N-ethyl-2,2-dimethyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 59169987
N,N-dimethyl-2-(3-methylpentylsulfanyl)ethanamine
CID 59749887
propyl N,N-bis(2-methylpropyl)carbamodithioate
CID 85730509
3-(2,4-dimethylpentan-3-ylsulfanyl)-N,N-dimethylpropan-1-amine
CID 89719465
1-[1-(dimethylamino)propylsulfanyl]-N,N-dimethylpropan-1-amine
CID 89725140
1-(2,3-dimethylbutylsulfanyl)-N,N-dimethylmethanamine
CID 91111647
3,5-Dimethyl-1,3-thiazinane;ethane
CID 91460032

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine?
The IUPAC name of N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine (CID 90709413) is N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine?
The canonical SMILES for N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine is CCCN(C)CSCCC(C)C.
What is the InChIKey of N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine?
The InChIKey is DSOSJWWDLSSLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-5-7-11(4)9-12-8-6-10(2)3/h10H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine?
N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutylsulfanylmethyl)propan-1-amine is sourced from PubChem (CID 90709413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).