N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine

C15H30N2O2S — CID 65045669

IUPACN-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine
SMILESCN(C1CCCCCC1)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-17(13-8-5-3-4-6-9-13)15(12-16)11-7-10-14(15)20(2,18)19/h13-14H,3-12,16H2,1-2H3
InChIKeyVRLWGVRXGGOFCE-UHFFFAOYSA-N
MW302.48 g/mol
LogP1.94
Rot. Bonds4

About N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine

N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine (PubChem CID 65045669) has the molecular formula C15H30N2O2S and a molecular weight of 302.48 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine
PubChem CID65045669
Molecular FormulaC15H30N2O2S
Molecular Weight302.48 g/mol
Exact Mass302.20
IUPAC NameN-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine
SMILESCN(C1CCCCCC1)C1(CN)CCCC1S(C)(=O)=O
InChIInChI=1S/C15H30N2O2S/c1-17(13-8-5-3-4-6-9-13)15(12-16)11-7-10-14(15)20(2,18)19/h13-14H,3-12,16H2,1-2H3
InChIKeyVRLWGVRXGGOFCE-UHFFFAOYSA-N
XLogP1.94
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-2-propylpentane-1,2-diamine
CID 43648659
2-N-(1,1-dioxothiolan-3-yl)-2-ethyl-2-N,4-dimethylhexane-1,2-diamine
CID 43648661
N-[1-(aminomethyl)cycloheptyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648663
N-[1-(aminomethyl)cyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648673
N-[1-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648685
4-(aminomethyl)-N-cycloheptyl-N-methyl-1,1-dioxothian-4-amine
CID 54982817
1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cycloheptan-1-amine
CID 55210154
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-methylcycloheptan-1-amine
CID 62007928
1-(aminomethyl)-N-(2-ethylsulfonylethyl)-N-propylcyclopentan-1-amine
CID 62008347
1-(aminomethyl)-N-(2-methylsulfonylethyl)-N-propylcycloheptan-1-amine
CID 62008925
1-(aminomethyl)-N-ethyl-N-(2-methylsulfonylethyl)cyclopentan-1-amine
CID 62008933
1-(aminomethyl)-N-ethyl-N-(2-ethylsulfonylethyl)cyclopentan-1-amine
CID 62008936

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine?
The IUPAC name of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine (CID 65045669) is N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine is CN(C1CCCCCC1)C1(CN)CCCC1S(C)(=O)=O.
What is the InChIKey of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine?
The InChIKey is VRLWGVRXGGOFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2S/c1-17(13-8-5-3-4-6-9-13)15(12-16)11-7-10-14(15)20(2,18)19/h13-14H,3-12,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine?
N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine has a molecular weight of 302.48 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylsulfonylcyclopentyl]-N-methylcycloheptanamine is sourced from PubChem (CID 65045669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).