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

C10H21NS — CID 103949991

IUPAC2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine
SMILESCSCCCNC(C)(C)C1CC1
InChIInChI=1S/C10H21NS/c1-10(2,9-5-6-9)11-7-4-8-12-3/h9,11H,4-8H2,1-3H3
InChIKeyUIWYMCMFWBZGBU-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds6

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

2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine (PubChem CID 103949991) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine
PubChem CID103949991
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine
SMILESCSCCCNC(C)(C)C1CC1
InChIInChI=1S/C10H21NS/c1-10(2,9-5-6-9)11-7-4-8-12-3/h9,11H,4-8H2,1-3H3
InChIKeyUIWYMCMFWBZGBU-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
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

2-cyclopropyl-N-(3-ethoxypropyl)propan-2-amine
CID 104578024
N-[(4-tert-butylcyclohexyl)methyl]-3-methylsulfanylpropan-1-amine
CID 104575105
N-(2-cyclopropylpropan-2-yl)-4-(oxan-4-yl)butan-1-amine
CID 114191147
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
2-methyl-2-(3-methylsulfanylpropylamino)propanamide
CID 61218812
2-[2-(2-cyclopropylpropan-2-ylamino)ethoxy]ethanol
CID 104577928
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
CID 103699635
3-methyl-3-(3-methylsulfanylpropylamino)butanamide
CID 104580425
2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 115592628
4-(3-methylsulfanylpropylamino)cyclohexan-1-ol
CID 28615263
2-cyclopropyl-N-methylpropan-2-amine
CID 82593557

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine (CID 103949991) is 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine is CSCCCNC(C)(C)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine?
The InChIKey is UIWYMCMFWBZGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2,9-5-6-9)11-7-4-8-12-3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine?
2-cyclopropyl-N-(3-methylsulfanylpropyl)propan-2-amine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 6 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-2-amine is sourced from PubChem (CID 103949991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).