1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine

C14H30N2O2S — CID 62008925

IUPAC1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine
SMILESCCCN(CCS(C)(=O)=O)C1(CN)CCCCCC1
InChIInChI=1S/C14H30N2O2S/c1-3-10-16(11-12-19(2,17)18)14(13-15)8-6-4-5-7-9-14/h3-13,15H2,1-2H3
InChIKeyPNUXLPVEGZYURI-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.79
Rot. Bonds7

About 1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine

1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine (PubChem CID 62008925) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine
PubChem CID62008925
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine
SMILESCCCN(CCS(C)(=O)=O)C1(CN)CCCCCC1
InChIInChI=1S/C14H30N2O2S/c1-3-10-16(11-12-19(2,17)18)14(13-15)8-6-4-5-7-9-14/h3-13,15H2,1-2H3
InChIKeyPNUXLPVEGZYURI-UHFFFAOYSA-N
XLogP1.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine (CID 62008925) is 1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine is CCCN(CCS(C)(=O)=O)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine?
The InChIKey is PNUXLPVEGZYURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-3-10-16(11-12-19(2,17)18)14(13-15)8-6-4-5-7-9-14/h3-13,15H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine?
1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine has a molecular weight of 290.47 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 62008925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).