N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine

C14H24N2OS — CID 115440073

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1CNCC1(CN)CCOCC1
InChIInChI=1S/C14H24N2OS/c1-2-12-3-8-18-13(12)9-16-11-14(10-15)4-6-17-7-5-14/h3,8,16H,2,4-7,9-11,15H2,1H3
InChIKeyUKUMOWTWPICGCJ-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.16
Rot. Bonds6

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine (PubChem CID 115440073) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine
PubChem CID115440073
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine
SMILESCCc1ccsc1CNCC1(CN)CCOCC1
InChIInChI=1S/C14H24N2OS/c1-2-12-3-8-18-13(12)9-16-11-14(10-15)4-6-17-7-5-14/h3,8,16H,2,4-7,9-11,15H2,1H3
InChIKeyUKUMOWTWPICGCJ-UHFFFAOYSA-N
XLogP2.16
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[(3-ethylthiophen-2-yl)methyl]acetamide
CID 81169154
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine
CID 113310226
N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 113411502
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(5-ethylthiophen-2-yl)methanamine
CID 106012052
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 113310210
N-[(3-ethylthiophen-2-yl)methyl]morpholine-4-carboxamide
CID 113254231
N-[(3-ethylthiophen-2-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102897512
2-[(3-ethylthiophen-2-yl)methylamino]ethanesulfonamide
CID 114385097
N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115727626
1-carbamothioyl-N-[(3-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 80590985
2,6-dichloro-4-[[(3-ethylthiophen-2-yl)methylamino]methyl]aniline
CID 82841766

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine (CID 115440073) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine is CCc1ccsc1CNCC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine?
The InChIKey is UKUMOWTWPICGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-2-12-3-8-18-13(12)9-16-11-14(10-15)4-6-17-7-5-14/h3,8,16H,2,4-7,9-11,15H2,1H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine has a molecular weight of 268.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine is sourced from PubChem (CID 115440073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).