N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine

C11H21NOS — CID 115896301

IUPACN-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine
SMILESCC(CNC(C1CC1)C1CC1)S(C)=O
InChIInChI=1S/C11H21NOS/c1-8(14(2)13)7-12-11(9-3-4-9)10-5-6-10/h8-12H,3-7H2,1-2H3
InChIKeyPBOMIWVTJPVECH-UHFFFAOYSA-N
MW215.36 g/mol
LogP1.53
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine

N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine (PubChem CID 115896301) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine
PubChem CID115896301
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC NameN-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine
SMILESCC(CNC(C1CC1)C1CC1)S(C)=O
InChIInChI=1S/C11H21NOS/c1-8(14(2)13)7-12-11(9-3-4-9)10-5-6-10/h8-12H,3-7H2,1-2H3
InChIKeyPBOMIWVTJPVECH-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine
CID 115896146
(2R)-1-(dicyclopropylmethylamino)propan-2-ol
CID 93082129
N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine
CID 115764167
1-cyclopropyl-N-ethyl-2-methylsulfinylethanamine
CID 64654604
3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896258
N'-(dicyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61480803
4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine
CID 115763856
trans-(1S,2S)-2-(2-methylsulfinylpropylamino)cyclohexan-1-ol
CID 102731693
N-(dicyclopropylmethyl)-2-phenylpropan-1-amine
CID 43204178
N'-(dicyclopropylmethyl)-2-(2,2-dimethylpropyl)propane-1,3-diamine
CID 107473291
N-(2-methylbutan-2-yl)-2-(2-methylsulfinylpropylamino)propanamide
CID 113484086
N-(1,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 115896303

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine (CID 115896301) is N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine is CC(CNC(C1CC1)C1CC1)S(C)=O.
What is the InChIKey of N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine?
The InChIKey is PBOMIWVTJPVECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-8(14(2)13)7-12-11(9-3-4-9)10-5-6-10/h8-12H,3-7H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine?
N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115896301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).