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

C16H30N2 — CID 114460346

IUPAC1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine
SMILESCC(C)(C)C1=CCN(CCC2(N)CCCC2)CC1
InChIInChI=1S/C16H30N2/c1-15(2,3)14-6-11-18(12-7-14)13-10-16(17)8-4-5-9-16/h6H,4-5,7-13,17H2,1-3H3
InChIKeyRPGIOXSVFCEGQM-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.33
Rot. Bonds3

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

1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine (PubChem CID 114460346) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine
PubChem CID114460346
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine
SMILESCC(C)(C)C1=CCN(CCC2(N)CCCC2)CC1
InChIInChI=1S/C16H30N2/c1-15(2,3)14-6-11-18(12-7-14)13-10-16(17)8-4-5-9-16/h6H,4-5,7-13,17H2,1-3H3
InChIKeyRPGIOXSVFCEGQM-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.33
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

2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine
CID 71049116
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine
CID 114460287
[1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
CID 114460424
1-[2-(azocan-1-yl)ethyl]cyclohexan-1-amine
CID 64678910
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
CID 64678711
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine
CID 114460413
N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
CID 114460915
1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]cyclohexan-1-amine
CID 64682905
1-[2-(2,5-dihydropyrrol-1-yl)ethyl]cyclobutan-1-amine
CID 130775777
1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine
CID 69095548
1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 79854675
1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-amine
CID 114460322

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine (CID 114460346) is 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine is CC(C)(C)C1=CCN(CCC2(N)CCCC2)CC1.
What is the InChIKey of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine?
The InChIKey is RPGIOXSVFCEGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-15(2,3)14-6-11-18(12-7-14)13-10-16(17)8-4-5-9-16/h6H,4-5,7-13,17H2,1-3H3.
What are the key properties of 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine?
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 114460346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).