3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine

C14H28N2OS — CID 79950108

IUPAC3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CSC(C)C1
InChIInChI=1S/C14H28N2OS/c1-11-8-14(9-15,10-18-11)16(6-7-17-3)12(2)13-4-5-13/h11-13H,4-10,15H2,1-3H3
InChIKeyKXFQDCFYQOVXFS-UHFFFAOYSA-N
MW272.46 g/mol
LogP1.96
Rot. Bonds7

About 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine

3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine (PubChem CID 79950108) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine
PubChem CID79950108
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine
SMILESCOCCN(C(C)C1CC1)C1(CN)CSC(C)C1
InChIInChI=1S/C14H28N2OS/c1-11-8-14(9-15,10-18-11)16(6-7-17-3)12(2)13-4-5-13/h11-13H,4-10,15H2,1-3H3
InChIKeyKXFQDCFYQOVXFS-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylthiolan-3-amine
CID 79949986
1-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449048
3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxolan-3-amine
CID 55203276
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)oxepan-4-amine
CID 65079502
3-(aminomethyl)-5-methyl-N-propan-2-yl-N-propylthiolan-3-amine
CID 79950217
1-(aminomethyl)-N-(1-cyclopropylethyl)-4-ethyl-N-(2-methoxyethyl)cycloheptan-1-amine
CID 65088127
3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine
CID 79950945
1-(aminomethyl)-N-(2-methoxyethyl)-N,3-di(propan-2-yl)cyclohexan-1-amine
CID 107449206
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562700
3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine
CID 79950104
3-(aminomethyl)-N-butyl-N-ethyl-5-methylthiolan-3-amine
CID 79950939
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 81079207

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine (CID 79950108) is 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine is COCCN(C(C)C1CC1)C1(CN)CSC(C)C1.
What is the InChIKey of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine?
The InChIKey is KXFQDCFYQOVXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-11-8-14(9-15,10-18-11)16(6-7-17-3)12(2)13-4-5-13/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine?
3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine has a molecular weight of 272.46 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine is sourced from PubChem (CID 79950108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).