2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine

C10H21NS — CID 115592628

IUPAC2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine
SMILESCSCCCNCC(C)C1CC1
InChIInChI=1S/C10H21NS/c1-9(10-4-5-10)8-11-6-3-7-12-2/h9-11H,3-8H2,1-2H3
InChIKeyLXJWRRFBFKVPEE-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.38
Rot. Bonds7

About 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine

2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine (PubChem CID 115592628) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine
PubChem CID115592628
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine
SMILESCSCCCNCC(C)C1CC1
InChIInChI=1S/C10H21NS/c1-9(10-4-5-10)8-11-6-3-7-12-2/h9-11H,3-8H2,1-2H3
InChIKeyLXJWRRFBFKVPEE-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.38
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

1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 115721395
N-(2-cyclopropylpropyl)-3-methylbutan-1-amine
CID 115592627
N-(1-cyclobutylethyl)-3-methylsulfanylpropan-1-amine
CID 115721359
N-[(1S)-1-cyclopentylethyl]-3-methylsulfanylpropan-1-amine
CID 81385548
N-[(1S)-1-cyclohexylethyl]-3-methylsulfanylpropan-1-amine
CID 81387495
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
1-cyclopropyl-N-(2-methylsulfanylethyl)ethanamine
CID 60696328
2-cyclopropyl-N-(2-ethylsulfonylethyl)propan-1-amine
CID 115663153
N-(3-methylsulfanylpropyl)-2-phenylpropan-1-amine
CID 43182086
2-cyclopropyl-N-(cyclopropylmethyl)propan-1-amine
CID 78921560
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
N'-cyclopropyl-N'-methyl-N-(3-methylsulfanylpropyl)ethane-1,2-diamine
CID 62975902

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine (CID 115592628) is 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine is CSCCCNCC(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine?
The InChIKey is LXJWRRFBFKVPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-9(10-4-5-10)8-11-6-3-7-12-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine?
2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 115592628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).