N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine

C14H28N2O2S — CID 43648656

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCC1CCC(CN)(N(C)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-12-4-7-14(11-15,8-5-12)16(2)13-6-9-19(17,18)10-13/h12-13H,3-11,15H2,1-2H3
InChIKeyLRQIBZBSNOLMNR-UHFFFAOYSA-N
MW288.46 g/mol
LogP1.40
Rot. Bonds4

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine (PubChem CID 43648656) has the molecular formula C14H28N2O2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
PubChem CID43648656
Molecular FormulaC14H28N2O2S
Molecular Weight288.46 g/mol
Exact Mass288.19
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
SMILESCCC1CCC(CN)(N(C)C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C14H28N2O2S/c1-3-12-4-7-14(11-15,8-5-12)16(2)13-6-9-19(17,18)10-13/h12-13H,3-11,15H2,1-2H3
InChIKeyLRQIBZBSNOLMNR-UHFFFAOYSA-N
XLogP1.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)-3-ethylcyclopentyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 64501186
4-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-1-ethyl-N-methylazepan-4-amine
CID 65078367
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-methyloxolan-3-amine
CID 63335117
3-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63162872
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 107428952
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,5,5-trimethylthian-3-amine
CID 79958421
N-[1-(aminomethyl)-2-methylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 43648675
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945
N-[1-(aminomethyl)-2,4-dimethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 64762337
1-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N-ethylcyclopropane-1-carboxamide
CID 115452794
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 81168346

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine (CID 43648656) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine is CCC1CCC(CN)(N(C)C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is LRQIBZBSNOLMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2S/c1-3-12-4-7-14(11-15,8-5-12)16(2)13-6-9-19(17,18)10-13/h12-13H,3-11,15H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 288.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 43648656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).