1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine

C9H19NS — CID 115706204

IUPAC1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
SMILESCSCCNC(C)CC1CC1
InChIInChI=1S/C9H19NS/c1-8(7-9-3-4-9)10-5-6-11-2/h8-10H,3-7H2,1-2H3
InChIKeyHGRDLUMTNYFLIP-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds6

About 1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine

1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine (PubChem CID 115706204) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
PubChem CID115706204
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
SMILESCSCCNC(C)CC1CC1
InChIInChI=1S/C9H19NS/c1-8(7-9-3-4-9)10-5-6-11-2/h8-10H,3-7H2,1-2H3
InChIKeyHGRDLUMTNYFLIP-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240
1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719687
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
N'-(1-cyclopropylpropan-2-yl)-N-methylpropane-1,3-diamine
CID 91064038
N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
CID 81300289
(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine
CID 115890255
(1S)-1-cyclohexyl-N-(2-methylsulfanylethyl)ethanamine
CID 104863405
(1S)-1-cycloheptyl-N-(2-methylsulfanylethyl)ethanamine
CID 104580013
3-cyclohexyl-N-(2-methylsulfanylethyl)butan-2-amine
CID 115706194
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
N-(1-cyclopropylpropan-2-yl)pent-4-yn-1-amine
CID 115724863

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine (CID 115706204) is 1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine is CSCCNC(C)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine?
The InChIKey is HGRDLUMTNYFLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(7-9-3-4-9)10-5-6-11-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine?
1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine has a molecular weight of 173.32 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 1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 115706204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).