N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine

C13H27NS — CID 104537240

IUPACN-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
SMILESCSCCCCCCNC(C)CC1CC1
InChIInChI=1S/C13H27NS/c1-12(11-13-7-8-13)14-9-5-3-4-6-10-15-2/h12-14H,3-11H2,1-2H3
InChIKeyUTIZNKVLRIAPQW-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.69
Rot. Bonds10

About N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine

N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine (PubChem CID 104537240) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
PubChem CID104537240
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
SMILESCSCCCCCCNC(C)CC1CC1
InChIInChI=1S/C13H27NS/c1-12(11-13-7-8-13)14-9-5-3-4-6-10-15-2/h12-14H,3-11H2,1-2H3
InChIKeyUTIZNKVLRIAPQW-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706204
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
CID 115890825
N'-(1-cyclopropylpropan-2-yl)-N-methylpropane-1,3-diamine
CID 91064038
N-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
CID 81300289
N-(1-cyclopropylpropan-2-yl)pent-4-yn-1-amine
CID 115724863
N-[1-(1-methylcyclopropyl)ethyl]-6-methylsulfanylhexan-1-amine
CID 104537205
N-(1-cyclopropylpropan-2-yl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 115719687
N-(4-methylsulfanylbutyl)hexan-2-amine
CID 115721503
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
1-cyclopropyl-N-(3-methylsulfinylpropyl)propan-2-amine
CID 115721005
N-(1-cyclopropyl-2-methoxyethyl)-5-methylsulfanylpentan-1-amine
CID 104926339
N-(3-cyclohexyloxypropyl)-1-cyclopropylpropan-2-amine
CID 115707843

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine (CID 104537240) is N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine is CSCCCCCCNC(C)CC1CC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine?
The InChIKey is UTIZNKVLRIAPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-12(11-13-7-8-13)14-9-5-3-4-6-10-15-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine?
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine is sourced from PubChem (CID 104537240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).