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

C12H21NO — CID 115741972

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine
SMILESCC1(NCC2=CCCOC2)CCCC1
InChIInChI=1S/C12H21NO/c1-12(6-2-3-7-12)13-9-11-5-4-8-14-10-11/h5,13H,2-4,6-10H2,1H3
InChIKeyIDJRZEVFVUNBRS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.26
Rot. Bonds3

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

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine (PubChem CID 115741972) 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)-1-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine
PubChem CID115741972
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine
SMILESCC1(NCC2=CCCOC2)CCCC1
InChIInChI=1S/C12H21NO/c1-12(6-2-3-7-12)13-9-11-5-4-8-14-10-11/h5,13H,2-4,6-10H2,1H3
InChIKeyIDJRZEVFVUNBRS-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
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
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 115674331
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 115674379
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
N-(3,6-dihydro-2H-pyran-5-ylmethyl)hexan-1-amine
CID 115741749
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylhexan-1-amine
CID 115741754

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine (CID 115741972) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine is CC1(NCC2=CCCOC2)CCCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine?
The InChIKey is IDJRZEVFVUNBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(6-2-3-7-12)13-9-11-5-4-8-14-10-11/h5,13H,2-4,6-10H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylcyclopentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.26, 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)-1-methylcyclopentan-1-amine is sourced from PubChem (CID 115741972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).