N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine

C13H27NS — CID 104537205

IUPACN-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine
SMILESCSCCCCCCNC(C)C1(C)CC1
InChIInChI=1S/C13H27NS/c1-12(13(2)8-9-13)14-10-6-4-5-7-11-15-3/h12,14H,4-11H2,1-3H3
InChIKeyOJDQGMNZEWIMBG-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.69
Rot. Bonds9

About N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine

N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine (PubChem CID 104537205) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine
PubChem CID104537205
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine
SMILESCSCCCCCCNC(C)C1(C)CC1
InChIInChI=1S/C13H27NS/c1-12(13(2)8-9-13)14-10-6-4-5-7-11-15-3/h12,14H,4-11H2,1-3H3
InChIKeyOJDQGMNZEWIMBG-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.69
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

1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981997
N-[1-(1-methylcyclopropyl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716177
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240
3-methyl-N-(4-methylsulfanylbutyl)butan-2-amine
CID 115721446
N-methyl-5-methylsulfanylpentan-1-amine
CID 58719975
3-[1-(1-methylcyclopropyl)ethylamino]propanenitrile
CID 43363289
N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine
CID 104926339
N-butan-2-yl-2-(5-methylsulfanylpentylamino)propanamide
CID 114127259
2-methyl-N-[1-(1-methylcyclopropyl)ethyl]propan-1-amine
CID 43173428
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
N-(4-methylsulfanylbutyl)hexan-2-amine
CID 115721503
2-(5-methylsulfanylpentylamino)-N-pentan-3-ylpropanamide
CID 114127230

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine (CID 104537205) is N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine is CSCCCCCCNC(C)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine?
The InChIKey is OJDQGMNZEWIMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-12(13(2)8-9-13)14-10-6-4-5-7-11-15-3/h12,14H,4-11H2,1-3H3.
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine?
N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine is sourced from PubChem (CID 104537205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).