1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine

C18H30N2 — CID 79081682

IUPAC1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccc(C)c(C(N)C2(N(C)C)CCCCCC2)c1
InChIInChI=1S/C18H30N2/c1-14-9-10-15(2)16(13-14)17(19)18(20(3)4)11-7-5-6-8-12-18/h9-10,13,17H,5-8,11-12,19H2,1-4H3
InChIKeyDJAKCPCVSJHTLF-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.96
Rot. Bonds3

About 1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine

1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79081682) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79081682
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccc(C)c(C(N)C2(N(C)C)CCCCCC2)c1
InChIInChI=1S/C18H30N2/c1-14-9-10-15(2)16(13-14)17(19)18(20(3)4)11-7-5-6-8-12-18/h9-10,13,17H,5-8,11-12,19H2,1-4H3
InChIKeyDJAKCPCVSJHTLF-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino-(2-fluoro-5-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066959
1-[amino-(2-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066805
1-[(2,5-dimethylphenyl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070605
1-[amino-(4-methoxy-2-methylphenyl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070446
1-[amino-(3,5-dimethylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065979
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
1-[amino-(2,4,5-trimethylphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059138
1-[amino-(2,3,4-trifluorophenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065985
1-[amino-(2-methoxyphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066502
1-[amino-(3-methylthiophen-2-yl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 79988703
1-[amino-(2,5-dimethylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943053
[1-(dimethylamino)cycloheptyl]-(2-methoxy-5-methylphenyl)methanol
CID 79063099

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine (CID 79081682) is 1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine is Cc1ccc(C)c(C(N)C2(N(C)C)CCCCCC2)c1.
What is the InChIKey of 1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is DJAKCPCVSJHTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14-9-10-15(2)16(13-14)17(19)18(20(3)4)11-7-5-6-8-12-18/h9-10,13,17H,5-8,11-12,19H2,1-4H3.
What are the key properties of 1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine?
1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(2,5-dimethylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79081682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).