4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide

C16H26N2OS — CID 79527109

IUPAC4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)C2CCC(CN)CC2)s1
InChIInChI=1S/C16H26N2OS/c1-11-4-9-15(20-11)12(2)18(3)16(19)14-7-5-13(10-17)6-8-14/h4,9,12-14H,5-8,10,17H2,1-3H3
InChIKeyBKMWEMLYPBFZJG-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.34
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 79527109) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID79527109
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)C2CCC(CN)CC2)s1
InChIInChI=1S/C16H26N2OS/c1-11-4-9-15(20-11)12(2)18(3)16(19)14-7-5-13(10-17)6-8-14/h4,9,12-14H,5-8,10,17H2,1-3H3
InChIKeyBKMWEMLYPBFZJG-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[methyl-[1-(5-methylthiophen-2-yl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64837699
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210647
2-amino-2-cyclopropyl-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 54873112
4-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60962681
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide
CID 79527619
2-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]propanamide
CID 60962460
1-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclopropane-1-carboxamide
CID 65465761
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 60963185
3-amino-N,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 64676730
2-amino-N,2-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butanamide
CID 79805331
2,2,2-trifluoroethyl N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]carbamate
CID 61066824
(3R)-1-(4-fluorophenyl)-N-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 94639118

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide (CID 79527109) is 4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide is Cc1ccc(C(C)N(C)C(=O)C2CCC(CN)CC2)s1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is BKMWEMLYPBFZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-11-4-9-15(20-11)12(2)18(3)16(19)14-7-5-13(10-17)6-8-14/h4,9,12-14H,5-8,10,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79527109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).