N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine

C11H23NS — CID 115722054

IUPACN-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine
SMILESCCC(NC(C)CCSC)C1CC1
InChIInChI=1S/C11H23NS/c1-4-11(10-5-6-10)12-9(2)7-8-13-3/h9-12H,4-8H2,1-3H3
InChIKeyIBXQMGRJFQHBGV-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds7

About N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine

N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine (PubChem CID 115722054) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine
PubChem CID115722054
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine
SMILESCCC(NC(C)CCSC)C1CC1
InChIInChI=1S/C11H23NS/c1-4-11(10-5-6-10)12-9(2)7-8-13-3/h9-12H,4-8H2,1-3H3
InChIKeyIBXQMGRJFQHBGV-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine
CID 100920931
1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-1-amine
CID 103778148
2-propyl-N-[2-(trifluoromethylsulfanyl)ethyl]cyclopropan-1-amine
CID 105776002
N-[4-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentyl]cyclopropanamine
CID 113544157
1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]propan-2-amine
CID 115710755
1-cyclopropyl-N-[2-(trifluoromethylsulfanyl)ethyl]butan-2-amine
CID 116615574
N,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616644
N-ethyl-2-methyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616645
2-methyl-N-propyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616646
1-cyclopropyl-N-methyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116616701
1-cyclopropyl-N-ethyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116616702
1-cyclopropyl-N-propyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116616703

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine (CID 115722054) is N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine is CCC(NC(C)CCSC)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine?
The InChIKey is IBXQMGRJFQHBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-4-11(10-5-6-10)12-9(2)7-8-13-3/h9-12H,4-8H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine?
N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115722054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).