2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine

C14H29NOS — CID 64651470

IUPAC2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCCS(=O)C1CC(CCC)CCC1NC
InChIInChI=1S/C14H29NOS/c1-4-6-10-17(16)14-11-12(7-5-2)8-9-13(14)15-3/h12-15H,4-11H2,1-3H3
InChIKeyPKXGHWOCIICDCL-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.09
Rot. Bonds7

About 2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine

2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 64651470) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
PubChem CID64651470
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCCS(=O)C1CC(CCC)CCC1NC
InChIInChI=1S/C14H29NOS/c1-4-6-10-17(16)14-11-12(7-5-2)8-9-13(14)15-3/h12-15H,4-11H2,1-3H3
InChIKeyPKXGHWOCIICDCL-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxypropylsulfinyl)-N-methyl-4-propylcyclohexan-1-amine
CID 64658421
2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651091
2-pentylsulfinyl-4-propylcyclohexan-1-amine
CID 107758994
2-butylsulfinyl-N,4,4-trimethylcyclohexan-1-amine
CID 64655762
2-butylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64653897
2-hexyl-N-methyl-4-propylcyclohexan-1-amine
CID 63403681
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
N-methyl-3-pentylsulfinyloxan-4-amine
CID 107759006
N-methyl-2-pentylsulfonyl-4-propylcyclohexan-1-amine
CID 107758549
N-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64651955
2-[[butyl(methyl)amino]methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 62616762
N-methyl-2-(4-methylpentyl)-4-propylcyclohexan-1-amine
CID 83159163

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine (CID 64651470) is 2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine is CCCCS(=O)C1CC(CCC)CCC1NC.
What is the InChIKey of 2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is PKXGHWOCIICDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-4-6-10-17(16)14-11-12(7-5-2)8-9-13(14)15-3/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine?
2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 64651470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).