1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine

C15H26N2S — CID 79988703

IUPAC1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccsc1C(N)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H26N2S/c1-12-8-11-18-13(12)14(16)15(17(2)3)9-6-4-5-7-10-15/h8,11,14H,4-7,9-10,16H2,1-3H3
InChIKeyVLUKCRYSEGCDRZ-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.71
Rot. Bonds3

About 1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine

1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79988703) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79988703
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccsc1C(N)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H26N2S/c1-12-8-11-18-13(12)14(16)15(17(2)3)9-6-4-5-7-10-15/h8,11,14H,4-7,9-10,16H2,1-3H3
InChIKeyVLUKCRYSEGCDRZ-UHFFFAOYSA-N
XLogP3.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[(3-methylthiophen-2-yl)-(propylamino)methyl]cyclohexan-1-amine
CID 79988935
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
[1-(aminomethyl)cyclobutyl]-(3-methylthiophen-2-yl)methanamine
CID 116943916
1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79081682
1-[amino(phenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 59347798
1-[amino-(3-chlorothiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 107359933
1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065979
1-[amino-(4-methoxy-2-methylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070446
1-[amino-(2,6-difluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065982
1-(1-amino-2-thiophen-2-ylethyl)-N,N-dimethylcyclohexan-1-amine
CID 79066955
1-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066959
1-(1-aminoethyl)-N,N-dimethylcycloheptan-1-amine
CID 79081577

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine (CID 79988703) is 1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine is Cc1ccsc1C(N)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is VLUKCRYSEGCDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-12-8-11-18-13(12)14(16)15(17(2)3)9-6-4-5-7-10-15/h8,11,14H,4-7,9-10,16H2,1-3H3.
What are the key properties of 1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine?
1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 266.45 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79988703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).