N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine

C13H23NO — CID 115763786

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCCC1=CCOCC1
InChIInChI=1S/C13H23NO/c1-11-3-2-4-13(11)14-8-5-12-6-9-15-10-7-12/h6,11,13-14H,2-5,7-10H2,1H3
InChIKeyVMJZZQFLAUUQQA-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine (PubChem CID 115763786) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine
PubChem CID115763786
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCCC1=CCOCC1
InChIInChI=1S/C13H23NO/c1-11-3-2-4-13(11)14-8-5-12-6-9-15-10-7-12/h6,11,13-14H,2-5,7-10H2,1H3
InChIKeyVMJZZQFLAUUQQA-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
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

(6S,7aR)-N-cyclohexyl-1,3,5,6,7,7a-hexahydrocyclopenta[c]pyran-6-amine
CID 134958683
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]hex-5-en-2-amine
CID 104583559
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
CID 115741743
1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine
CID 115741810
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine
CID 115741972
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine
CID 115742012
[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)cyclopentyl]methanol
CID 115742181
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylhexan-2-amine
CID 115742202
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 115742260
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylcyclopentan-1-amine
CID 115742299
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115763581
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-ethylbutan-1-amine
CID 115763768

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine (CID 115763786) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine is CC1CCCC1NCCC1=CCOCC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine?
The InChIKey is VMJZZQFLAUUQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-3-2-4-13(11)14-8-5-12-6-9-15-10-7-12/h6,11,13-14H,2-5,7-10H2,1H3.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 115763786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).