2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine

C15H28N2 — CID 114460259

IUPAC2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
SMILESCC(C)(C)C1=CCN(CC2CCCC2N)CC1
InChIInChI=1S/C15H28N2/c1-15(2,3)13-7-9-17(10-8-13)11-12-5-4-6-14(12)16/h7,12,14H,4-6,8-11,16H2,1-3H3
InChIKeyGLBINUUDAMTCAW-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.79
Rot. Bonds2

About 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine

2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine (PubChem CID 114460259) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
PubChem CID114460259
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
SMILESCC(C)(C)C1=CCN(CC2CCCC2N)CC1
InChIInChI=1S/C15H28N2/c1-15(2,3)13-7-9-17(10-8-13)11-12-5-4-6-14(12)16/h7,12,14H,4-6,8-11,16H2,1-3H3
InChIKeyGLBINUUDAMTCAW-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 114460305
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine
CID 114460287
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cycloheptan-1-amine
CID 114410885
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 176795488
2-[(4-methylidenepiperidin-1-yl)methyl]cyclopentan-1-amine
CID 130816206
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine
CID 114460346
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114460322
2-(pyrrolidin-1-ylmethyl)cyclopentan-1-amine
CID 23009063
N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
CID 114460915
[1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
CID 114460424
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methylphenyl)ethanamine
CID 106313147
2-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-amine
CID 106314830

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine (CID 114460259) is 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine is CC(C)(C)C1=CCN(CC2CCCC2N)CC1.
What is the InChIKey of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is GLBINUUDAMTCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-15(2,3)13-7-9-17(10-8-13)11-12-5-4-6-14(12)16/h7,12,14H,4-6,8-11,16H2,1-3H3.
What are the key properties of 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine?
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 236.40 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114460259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).