4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine

C13H22N2OS — CID 61436948

IUPAC4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine
SMILESCCN(Cc1cccs1)C1(CN)CCOCC1
InChIInChI=1S/C13H22N2OS/c1-2-15(10-12-4-3-9-17-12)13(11-14)5-7-16-8-6-13/h3-4,9H,2,5-8,10-11,14H2,1H3
InChIKeyBYKGBQJOCRJCRD-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.08
Rot. Bonds5

About 4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine

4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine (PubChem CID 61436948) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine
PubChem CID61436948
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine
SMILESCCN(Cc1cccs1)C1(CN)CCOCC1
InChIInChI=1S/C13H22N2OS/c1-2-15(10-12-4-3-9-17-12)13(11-14)5-7-16-8-6-13/h3-4,9H,2,5-8,10-11,14H2,1H3
InChIKeyBYKGBQJOCRJCRD-UHFFFAOYSA-N
XLogP2.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)thiolan-3-amine
CID 61436759
1-(aminomethyl)-N-ethyl-4-methyl-N-(thiophen-2-ylmethyl)cycloheptan-1-amine
CID 65085139
1-(aminomethyl)-N,3-diethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 64501978
1-(aminomethyl)-N,3,3-trimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80705684
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine
CID 65079163
1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 54948660
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 115439199
4-[[ethyl(thiophen-2-ylmethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292955
1-(aminomethyl)-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 80706068
4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 115294700
N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62385581
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)cyclooctan-1-amine
CID 61423746

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine (CID 61436948) is 4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine is CCN(Cc1cccs1)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine?
The InChIKey is BYKGBQJOCRJCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-2-15(10-12-4-3-9-17-12)13(11-14)5-7-16-8-6-13/h3-4,9H,2,5-8,10-11,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine?
4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine has a molecular weight of 254.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)oxan-4-amine is sourced from PubChem (CID 61436948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).