N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine

C11H23NOS — CID 115729286

IUPACN-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCCSCC1CC1
InChIInChI=1S/C11H23NOS/c1-9(10(2)13-3)12-6-7-14-8-11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyFGAZITCBKJLGRA-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.14
Rot. Bonds8

About N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine

N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine (PubChem CID 115729286) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine
PubChem CID115729286
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCCSCC1CC1
InChIInChI=1S/C11H23NOS/c1-9(10(2)13-3)12-6-7-14-8-11-4-5-11/h9-12H,4-8H2,1-3H3
InChIKeyFGAZITCBKJLGRA-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 115729284
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-ethylsulfonylpropan-2-amine
CID 115901263
N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine
CID 115709393
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-pyrazin-2-ylethanamine
CID 115729270
N-[2-(3-methoxybutan-2-ylamino)ethyl]cyclopropanecarboxamide
CID 115706423
N-[2-(cyclopropylmethylsulfanyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 115729271
N-(cyclopentylmethyl)-2-(cyclopropylmethylsulfanyl)ethanamine
CID 115908421
N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine
CID 115713933
N-(3-methoxybutan-2-yl)pentan-1-amine
CID 115705771
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine
CID 115714190
3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
CID 107295324
N-(2-butoxyethyl)-3-methoxybutan-2-amine
CID 115714563

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine (CID 115729286) is N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine is COC(C)C(C)NCCSCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine?
The InChIKey is FGAZITCBKJLGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-9(10(2)13-3)12-6-7-14-8-11-4-5-11/h9-12H,4-8H2,1-3H3.
What are the key properties of N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine?
N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine has a molecular weight of 217.38 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 115729286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).