N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine

C12H25NOS — CID 104926339

IUPACN-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine
SMILESCOCC(NCCCCCSC)C1CC1
InChIInChI=1S/C12H25NOS/c1-14-10-12(11-6-7-11)13-8-4-3-5-9-15-2/h11-13H,3-10H2,1-2H3
InChIKeyHKFFULZAEKYTSC-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.53
Rot. Bonds10

About N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine

N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine (PubChem CID 104926339) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine
PubChem CID104926339
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine
SMILESCOCC(NCCCCCSC)C1CC1
InChIInChI=1S/C12H25NOS/c1-14-10-12(11-6-7-11)13-8-4-3-5-9-15-2/h11-13H,3-10H2,1-2H3
InChIKeyHKFFULZAEKYTSC-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.53
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-(1-cyclopropyl-2-methoxyethyl)-4-methylsulfanylbutan-1-amine
CID 115721624
N-(1-cyclopropyl-2-methoxyethyl)-5,5-dimethylhexan-1-amine
CID 115716677
5-[(1-cyclopropyl-2-methoxyethyl)amino]-2-methylpentan-1-ol
CID 103905399
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240
1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43180595
N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide
CID 114127252
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
1-cyclopropyl-N-(1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 115895248
N-(1-cyclopropyl-2-methoxyethyl)-2-ethylbutan-1-amine
CID 115718062
1-chloro-3-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 106180567
1-cyclopropyl-2-methyl-N-(3-methylsulfanylpropyl)propan-1-amine
CID 115721395
1-cyclopropyl-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]ethanamine
CID 115717505

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine?
The IUPAC name of N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine (CID 104926339) is N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine.
What is the SMILES notation for N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine?
The canonical SMILES for N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine is COCC(NCCCCCSC)C1CC1.
What is the InChIKey of N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine?
The InChIKey is HKFFULZAEKYTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-14-10-12(11-6-7-11)13-8-4-3-5-9-15-2/h11-13H,3-10H2,1-2H3.
What are the key properties of N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine?
N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine has a molecular weight of 231.40 g/mol, XLogP of 2.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine is sourced from PubChem (CID 104926339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).