3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine

C14H30N2O2S — CID 79958506

IUPAC3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine
SMILESCOCCN(CCOC)C1(CN)CSCC(C)(C)C1
InChIInChI=1S/C14H30N2O2S/c1-13(2)9-14(10-15,12-19-11-13)16(5-7-17-3)6-8-18-4/h5-12,15H2,1-4H3
InChIKeyQWIWATXLMMBUSY-UHFFFAOYSA-N
MW290.47 g/mol
LogP1.44
Rot. Bonds8

About 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine

3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine (PubChem CID 79958506) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine
PubChem CID79958506
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC Name3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine
SMILESCOCCN(CCOC)C1(CN)CSCC(C)(C)C1
InChIInChI=1S/C14H30N2O2S/c1-13(2)9-14(10-15,12-19-11-13)16(5-7-17-3)6-8-18-4/h5-12,15H2,1-4H3
InChIKeyQWIWATXLMMBUSY-UHFFFAOYSA-N
XLogP1.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-butan-2-yl-N-(2-methoxyethyl)-5,5-dimethylthian-3-amine
CID 79958837
1-(aminomethyl)-N,N-bis(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088170
3-(aminomethyl)-N,5,5-trimethyl-N-propylthian-3-amine
CID 79958584
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclopropan-1-amine
CID 106661140
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 61448592
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-4,4-dimethylcycloheptan-1-amine
CID 65088073
1-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)cyclobutan-1-amine
CID 79520557
3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthian-3-amine
CID 62872376
3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine
CID 79958338
3-(aminomethyl)-N-(3,5-dimethylphenyl)-N,5,5-trimethylthian-3-amine
CID 79958839
3-(aminomethyl)-N,N-bis(2-ethoxyethyl)thiolan-3-amine
CID 82965361
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
CID 54985469

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine (CID 79958506) is 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine is COCCN(CCOC)C1(CN)CSCC(C)(C)C1.
What is the InChIKey of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine?
The InChIKey is QWIWATXLMMBUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-13(2)9-14(10-15,12-19-11-13)16(5-7-17-3)6-8-18-4/h5-12,15H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine?
3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine has a molecular weight of 290.47 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine is sourced from PubChem (CID 79958506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).