N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine

C10H20ClNS — CID 103067950

IUPACN-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESC=C(CCl)CN(C)C(CC)CSC
InChIInChI=1S/C10H20ClNS/c1-5-10(8-13-4)12(3)7-9(2)6-11/h10H,2,5-8H2,1,3-4H3
InChIKeyMVRCMQRFUGSLOU-UHFFFAOYSA-N
MW221.80 g/mol
LogP2.85
Rot. Bonds7

About N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine

N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine (PubChem CID 103067950) has the molecular formula C10H20ClNS and a molecular weight of 221.80 g/mol. Its IUPAC name is N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
PubChem CID103067950
Molecular FormulaC10H20ClNS
Molecular Weight221.80 g/mol
Exact Mass221.10
IUPAC NameN-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine
SMILESC=C(CCl)CN(C)C(CC)CSC
InChIInChI=1S/C10H20ClNS/c1-5-10(8-13-4)12(3)7-9(2)6-11/h10H,2,5-8H2,1,3-4H3
InChIKeyMVRCMQRFUGSLOU-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.80
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]prop-2-ene-1-thiol
CID 103073536
N-tert-butyl-N'-methyl-2-methylidene-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 103071191
trifluoro-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]prop-1-en-2-yl]boranuide
CID 106746228
2-methyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butan-1-ol
CID 112665129
2-[2-(chloromethyl)prop-2-enyl-pentan-3-ylamino]ethanol
CID 103067751
3-bromo-N,2,2-trimethyl-N-(1-methylsulfanylbutan-2-yl)propan-1-amine
CID 112663720
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112665719
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
2-ethyl-2-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]butanal
CID 112664539
2-amino-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112661509
N,N',2,2-tetramethyl-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112664882
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine
CID 112665724

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine (CID 103067950) is N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine is C=C(CCl)CN(C)C(CC)CSC.
What is the InChIKey of N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine?
The InChIKey is MVRCMQRFUGSLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNS/c1-5-10(8-13-4)12(3)7-9(2)6-11/h10H,2,5-8H2,1,3-4H3.
What are the key properties of N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine?
N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine has a molecular weight of 221.80 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)prop-2-enyl]-N-methyl-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 103067950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).