N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine

C9H18ClNS — CID 106437779

IUPACN-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCC(C)=CCl
InChIInChI=1S/C9H18ClNS/c1-8(4-10)5-11-6-9(2)7-12-3/h4,9,11H,5-7H2,1-3H3
InChIKeyAKWPSJGGWVPDLB-UHFFFAOYSA-N
MW207.77 g/mol
LogP2.72
Rot. Bonds6

About N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine

N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 106437779) has the molecular formula C9H18ClNS and a molecular weight of 207.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine
PubChem CID106437779
Molecular FormulaC9H18ClNS
Molecular Weight207.77 g/mol
Exact Mass207.08
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCC(C)CNCC(C)=CCl
InChIInChI=1S/C9H18ClNS/c1-8(4-10)5-11-6-9(2)7-12-3/h4,9,11H,5-7H2,1-3H3
InChIKeyAKWPSJGGWVPDLB-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine (CID 106437779) is N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine is CSCC(C)CNCC(C)=CCl.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is AKWPSJGGWVPDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNS/c1-8(4-10)5-11-6-9(2)7-12-3/h4,9,11H,5-7H2,1-3H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine?
N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 207.77 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-2-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 106437779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).