4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine

C17H28N2 — CID 115373871

IUPAC4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine
SMILESCc1cncc(C2(N)CCCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H28N2/c1-13-10-15(12-19-11-13)17(18)8-5-6-14(7-9-17)16(2,3)4/h10-12,14H,5-9,18H2,1-4H3
InChIKeyGCBVGNSJCUFPIA-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.17
Rot. Bonds1

About 4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine

4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine (PubChem CID 115373871) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine
PubChem CID115373871
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine
SMILESCc1cncc(C2(N)CCCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C17H28N2/c1-13-10-15(12-19-11-13)17(18)8-5-6-14(7-9-17)16(2,3)4/h10-12,14H,5-9,18H2,1-4H3
InChIKeyGCBVGNSJCUFPIA-UHFFFAOYSA-N
XLogP4.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine (CID 115373871) is 4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine is Cc1cncc(C2(N)CCCC(C(C)(C)C)CC2)c1.
What is the InChIKey of 4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine?
The InChIKey is GCBVGNSJCUFPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-10-15(12-19-11-13)17(18)8-5-6-14(7-9-17)16(2,3)4/h10-12,14H,5-9,18H2,1-4H3.
What are the key properties of 4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine?
4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(5-methyl-3-pyridinyl)cycloheptan-1-amine is sourced from PubChem (CID 115373871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).