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

C13H22N2OS — CID 113310226

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1CNCC1(CN)CCOCC1
InChIInChI=1S/C13H22N2OS/c1-11-7-17-8-12(11)6-15-10-13(9-14)2-4-16-5-3-13/h7-8,15H,2-6,9-10,14H2,1H3
InChIKeyAARAMPALZJCYEC-UHFFFAOYSA-N
MW254.40 g/mol
LogP1.90
Rot. Bonds5

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

N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine (PubChem CID 113310226) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine
PubChem CID113310226
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine
SMILESCc1cscc1CNCC1(CN)CCOCC1
InChIInChI=1S/C13H22N2OS/c1-11-7-17-8-12(11)6-15-10-13(9-14)2-4-16-5-3-13/h7-8,15H,2-6,9-10,14H2,1H3
InChIKeyAARAMPALZJCYEC-UHFFFAOYSA-N
XLogP1.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 113310210
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(3-ethylthiophen-2-yl)methanamine
CID 115440073
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine
CID 115244158
1-(aminomethyl)-N-[(4-methylthiophen-3-yl)methyl]cyclopropane-1-carboxamide
CID 115453520
4-hydroxy-4-[[(4-methylthiophen-3-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 106499611
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-1-(2,3,4-trimethylphenyl)methanamine
CID 115249465
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 115440025
N-[[1-(aminomethyl)cycloheptyl]methyl]-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 115445033
N-[[1-(aminomethyl)cyclopentyl]methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 115435527
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 115440047
2-methyl-N-[(4-methylthiophen-3-yl)methyl]butane-1,4-diamine
CID 80544239
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(3-methylthiophen-2-yl)methanamine
CID 115449118

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine (CID 113310226) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine is Cc1cscc1CNCC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine?
The InChIKey is AARAMPALZJCYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11-7-17-8-12(11)6-15-10-13(9-14)2-4-16-5-3-13/h7-8,15H,2-6,9-10,14H2,1H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(4-methylthiophen-3-yl)methanamine has a molecular weight of 254.40 g/mol, XLogP of 1.90, 5 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-(4-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 113310226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).