N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine

C12H21NO — CID 115742012

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCC1=CCCOC1
InChIInChI=1S/C12H21NO/c1-10-4-2-6-12(10)13-8-11-5-3-7-14-9-11/h5,10,12-13H,2-4,6-9H2,1H3
InChIKeyXZAWGTFMQYMBGK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine (PubChem CID 115742012) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine
PubChem CID115742012
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NCC1=CCCOC1
InChIInChI=1S/C12H21NO/c1-10-4-2-6-12(10)13-8-11-5-3-7-14-9-11/h5,10,12-13H,2-4,6-9H2,1H3
InChIKeyXZAWGTFMQYMBGK-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.11
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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methylcyclohexan-1-amine
CID 103816300
[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-methylcyclopentyl]methanol
CID 112353716
2-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
CID 114410919
3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]cyclopentan-1-amine
CID 114411021
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1,4-dimethylcyclohexan-1-amine
CID 115674415
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-2-amine
CID 115741719
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-2-amine
CID 115741720
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-6-methylheptan-2-amine
CID 115741730
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclopentanamine
CID 115741736
N-(3,6-dihydro-2H-pyran-5-ylmethyl)heptan-2-amine
CID 115741741
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methylhexan-2-amine
CID 115741743

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine (CID 115742012) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine is CC1CCCC1NCC1=CCCOC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine?
The InChIKey is XZAWGTFMQYMBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-4-2-6-12(10)13-8-11-5-3-7-14-9-11/h5,10,12-13H,2-4,6-9H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 115742012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).