N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine

C13H22N2OS — CID 80727310

IUPACN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine
SMILESCc1sc(CN)cc1CN(C)C1CCOCC1
InChIInChI=1S/C13H22N2OS/c1-10-11(7-13(8-14)17-10)9-15(2)12-3-5-16-6-4-12/h7,12H,3-6,8-9,14H2,1-2H3
InChIKeyCYLMOTNYQGVWPA-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.13
Rot. Bonds4

About N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine

N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine (PubChem CID 80727310) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine
PubChem CID80727310
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine
SMILESCc1sc(CN)cc1CN(C)C1CCOCC1
InChIInChI=1S/C13H22N2OS/c1-10-11(7-13(8-14)17-10)9-15(2)12-3-5-16-6-4-12/h7,12H,3-6,8-9,14H2,1-2H3
InChIKeyCYLMOTNYQGVWPA-UHFFFAOYSA-N
XLogP2.13
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methylcyclopropanamine
CID 80728454
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 80728906
N-[(2,5-dimethylthiophen-3-yl)methyl]-N-methylcyclopropanamine
CID 131201785
N-methyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]cyclohexanamine
CID 80727932
N-[[5-(ethylaminomethyl)-2-methylthiophen-3-yl]methyl]-N,4,4-trimethylcyclohexan-1-amine
CID 80719822
N-[(4-amino-2-bromophenyl)methyl]-N-methyloxan-4-amine
CID 60790714
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-methyloxan-4-amine
CID 63887848
N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxolan-3-amine
CID 63558537
[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
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797490
4-chloro-2-[[methyl(oxan-4-yl)amino]methyl]phenol
CID 82977579

Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine?
The IUPAC name of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine (CID 80727310) is N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine.
What is the SMILES notation for N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine?
The canonical SMILES for N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine is Cc1sc(CN)cc1CN(C)C1CCOCC1.
What is the InChIKey of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine?
The InChIKey is CYLMOTNYQGVWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-11(7-13(8-14)17-10)9-15(2)12-3-5-16-6-4-12/h7,12H,3-6,8-9,14H2,1-2H3.
What are the key properties of N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine?
N-[[5-(aminomethyl)-2-methylthiophen-3-yl]methyl]-N-methyloxan-4-amine has a molecular weight of 254.40 g/mol, XLogP of 2.13, 4 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-methyloxan-4-amine is sourced from PubChem (CID 80727310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).