N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine

C14H24N2OS — CID 80728906

IUPACN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCc1sc(CN)cc1CN(C)CC1CCOCC1
InChIInChI=1S/C14H24N2OS/c1-11-13(7-14(8-15)18-11)10-16(2)9-12-3-5-17-6-4-12/h7,12H,3-6,8-10,15H2,1-2H3
InChIKeyKHLLWRBDSHSTFB-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.37
Rot. Bonds5

About N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine

N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 80728906) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID80728906
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
SMILESCc1sc(CN)cc1CN(C)CC1CCOCC1
InChIInChI=1S/C14H24N2OS/c1-11-13(7-14(8-15)18-11)10-16(2)9-12-3-5-17-6-4-12/h7,12H,3-6,8-10,15H2,1-2H3
InChIKeyKHLLWRBDSHSTFB-UHFFFAOYSA-N
XLogP2.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine
CID 80727310
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine
CID 80728454
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728608
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63726480
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63705833
2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385324
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 79582408
5-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 55227188
[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]methanamine
CID 80727351
[5-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80728285
4-chloro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]phenol
CID 82980475
3-[[methyl(oxan-4-ylmethyl)amino]methyl]quinolin-2-amine
CID 63711975

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine (CID 80728906) is N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine is Cc1sc(CN)cc1CN(C)CC1CCOCC1.
What is the InChIKey of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is KHLLWRBDSHSTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11-13(7-14(8-15)18-11)10-16(2)9-12-3-5-17-6-4-12/h7,12H,3-6,8-10,15H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine?
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 268.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 80728906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).