N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine

C17H27N — CID 63504780

IUPACN-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
SMILESCc1ccc(C)c(CCNC2CCCCCC2)c1
InChIInChI=1S/C17H27N/c1-14-9-10-15(2)16(13-14)11-12-18-17-7-5-3-4-6-8-17/h9-10,13,17-18H,3-8,11-12H2,1-2H3
InChIKeyJJBBMMMBJXNKDA-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.16
Rot. Bonds4

About N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine

N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine (PubChem CID 63504780) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
PubChem CID63504780
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine
SMILESCc1ccc(C)c(CCNC2CCCCCC2)c1
InChIInChI=1S/C17H27N/c1-14-9-10-15(2)16(13-14)11-12-18-17-7-5-3-4-6-8-17/h9-10,13,17-18H,3-8,11-12H2,1-2H3
InChIKeyJJBBMMMBJXNKDA-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
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N-[4-(2,5-dimethylphenyl)-2,2-dimethylbutyl]cyclopropanamine
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N-(cyclopropylmethyl)-2-(2,5-dimethylphenyl)ethanamine
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2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
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N-[4-(2,4,5-trimethylphenyl)butyl]cyclopentanamine
CID 98017018
1-cyclobutyl-2-(2,5-dimethylphenyl)-N-methylethanamine
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2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
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CID 81034224

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine (CID 63504780) is N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine is Cc1ccc(C)c(CCNC2CCCCCC2)c1.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine?
The InChIKey is JJBBMMMBJXNKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14-9-10-15(2)16(13-14)11-12-18-17-7-5-3-4-6-8-17/h9-10,13,17-18H,3-8,11-12H2,1-2H3.
What are the key properties of N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine?
N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine has a molecular weight of 245.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)ethyl]cycloheptanamine is sourced from PubChem (CID 63504780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).