5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine

C15H23ClN2 — CID 106123930

IUPAC5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCC2CCC(Cl)C2)nc1
InChIInChI=1S/C15H23ClN2/c1-15(2,3)12-5-7-14(18-10-12)17-9-11-4-6-13(16)8-11/h5,7,10-11,13H,4,6,8-9H2,1-3H3,(H,17,18)
InChIKeyUKBZBJYKATUMJR-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.20
Rot. Bonds3

About 5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine

5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine (PubChem CID 106123930) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine
PubChem CID106123930
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine
SMILESCC(C)(C)c1ccc(NCC2CCC(Cl)C2)nc1
InChIInChI=1S/C15H23ClN2/c1-15(2,3)12-5-7-14(18-10-12)17-9-11-4-6-13(16)8-11/h5,7,10-11,13H,4,6,8-9H2,1-3H3,(H,17,18)
InChIKeyUKBZBJYKATUMJR-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine
CID 106125721
5-tert-butyl-N-(thiolan-3-ylmethyl)pyridin-2-amine
CID 114011625
N-[(3-chlorocyclopentyl)methyl]-6-methylpyridazin-3-amine
CID 106124022
5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106125146
N-[(3-chlorocyclopentyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106124330
[2-[[(5-tert-butyl-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 107874762
N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
CID 106123816
N-[(3-chlorocyclopentyl)methyl]pyrimidin-2-amine
CID 106124303
4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114011527
N-[(3-chlorocyclopentyl)methyl]-1,3-thiazol-2-amine
CID 106123958
N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine
CID 114146705
N-(cyclopropylmethyl)-5-fluoropyridin-2-amine
CID 61313730

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine?
The IUPAC name of 5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine (CID 106123930) is 5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine is CC(C)(C)c1ccc(NCC2CCC(Cl)C2)nc1.
What is the InChIKey of 5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine?
The InChIKey is UKBZBJYKATUMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-15(2,3)12-5-7-14(18-10-12)17-9-11-4-6-13(16)8-11/h5,7,10-11,13H,4,6,8-9H2,1-3H3,(H,17,18).
What are the key properties of 5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine?
5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine has a molecular weight of 266.82 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine is sourced from PubChem (CID 106123930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).