3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine

C13H26N2OS — CID 114080121

IUPAC3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine
SMILESCCN(CC1CCCO1)C1(CN)CCSC1C
InChIInChI=1S/C13H26N2OS/c1-3-15(9-12-5-4-7-16-12)13(10-14)6-8-17-11(13)2/h11-12H,3-10,14H2,1-2H3
InChIKeyQYJOVOXPEFWPOB-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.71
Rot. Bonds5

About 3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine

3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine (PubChem CID 114080121) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine
PubChem CID114080121
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC Name3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine
SMILESCCN(CC1CCCO1)C1(CN)CCSC1C
InChIInChI=1S/C13H26N2OS/c1-3-15(9-12-5-4-7-16-12)13(10-14)6-8-17-11(13)2/h11-12H,3-10,14H2,1-2H3
InChIKeyQYJOVOXPEFWPOB-UHFFFAOYSA-N
XLogP1.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433810
1-(aminomethyl)-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutan-1-amine
CID 103562711
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65085089
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 62703920
3-(aminomethyl)-N-ethyl-2-methyl-N-propylthian-3-amine
CID 79957162
4-(aminomethyl)-N,1-diethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 61434002
1-(aminomethyl)-N,4-diethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 62007723
3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine
CID 114080149
1-(aminomethyl)-N-ethyl-N-[2-(oxolan-2-yl)ethyl]cyclopentan-1-amine
CID 65158368
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopropan-1-amine
CID 65458658
1-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119750528
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 61435770

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine (CID 114080121) is 3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine is CCN(CC1CCCO1)C1(CN)CCSC1C.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine?
The InChIKey is QYJOVOXPEFWPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-3-15(9-12-5-4-7-16-12)13(10-14)6-8-17-11(13)2/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine?
3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine has a molecular weight of 258.43 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thiolan-3-amine is sourced from PubChem (CID 114080121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).