4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine

C15H24N2 — CID 65084157

IUPAC4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine
SMILESCCC1CCCC(N)(c2ccc(C)nc2)CC1
InChIInChI=1S/C15H24N2/c1-3-13-5-4-9-15(16,10-8-13)14-7-6-12(2)17-11-14/h6-7,11,13H,3-5,8-10,16H2,1-2H3
InChIKeyCTXNRDVJXIBAKX-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.53
Rot. Bonds2

About 4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine

4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine (PubChem CID 65084157) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine
PubChem CID65084157
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine
SMILESCCC1CCCC(N)(c2ccc(C)nc2)CC1
InChIInChI=1S/C15H24N2/c1-3-13-5-4-9-15(16,10-8-13)14-7-6-12(2)17-11-14/h6-7,11,13H,3-5,8-10,16H2,1-2H3
InChIKeyCTXNRDVJXIBAKX-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine?
The IUPAC name of 4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine (CID 65084157) is 4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine.
What is the SMILES notation for 4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine?
The canonical SMILES for 4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine is CCC1CCCC(N)(c2ccc(C)nc2)CC1.
What is the InChIKey of 4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine?
The InChIKey is CTXNRDVJXIBAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-13-5-4-9-15(16,10-8-13)14-7-6-12(2)17-11-14/h6-7,11,13H,3-5,8-10,16H2,1-2H3.
What are the key properties of 4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine?
4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(6-methyl-3-pyridinyl)cycloheptan-1-amine is sourced from PubChem (CID 65084157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).