N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine

C13H22N2S — CID 107555614

IUPACN-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine
SMILESCN(Cc1ccc(CN)s1)C1CCCCC1
InChIInChI=1S/C13H22N2S/c1-15(11-5-3-2-4-6-11)10-13-8-7-12(9-14)16-13/h7-8,11H,2-6,9-10,14H2,1H3
InChIKeyUUCOGSRLFNBZRQ-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.97
Rot. Bonds4

About N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine

N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine (PubChem CID 107555614) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine
PubChem CID107555614
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine
SMILESCN(Cc1ccc(CN)s1)C1CCCCC1
InChIInChI=1S/C13H22N2S/c1-15(11-5-3-2-4-6-11)10-13-8-7-12(9-14)16-13/h7-8,11H,2-6,9-10,14H2,1H3
InChIKeyUUCOGSRLFNBZRQ-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine (CID 107555614) is N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine is CN(Cc1ccc(CN)s1)C1CCCCC1.
What is the InChIKey of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine?
The InChIKey is UUCOGSRLFNBZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-15(11-5-3-2-4-6-11)10-13-8-7-12(9-14)16-13/h7-8,11H,2-6,9-10,14H2,1H3.
What are the key properties of N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine?
N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine has a molecular weight of 238.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)thiophen-2-yl]methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 107555614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).