1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine

C14H23ClN2S — CID 61438166

IUPAC1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1(CN)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C14H23ClN2S/c1-11-5-3-4-8-14(11,10-16)17(2)9-12-6-7-13(15)18-12/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyXFAQRQBJXOEJCR-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.74
Rot. Bonds4

About 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine

1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 61438166) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID61438166
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCC1CCCCC1(CN)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C14H23ClN2S/c1-11-5-3-4-8-14(11,10-16)17(2)9-12-6-7-13(15)18-12/h6-7,11H,3-5,8-10,16H2,1-2H3
InChIKeyXFAQRQBJXOEJCR-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine (CID 61438166) is 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine is CC1CCCCC1(CN)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is XFAQRQBJXOEJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-11-5-3-4-8-14(11,10-16)17(2)9-12-6-7-13(15)18-12/h6-7,11H,3-5,8-10,16H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine?
1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 286.87 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(5-chlorothiophen-2-yl)methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 61438166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).