1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine

C12H21NO — CID 115741810

IUPAC1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine
SMILESC1=C(CNCC2CCCC2)COCC1
InChIInChI=1S/C12H21NO/c1-2-5-11(4-1)8-13-9-12-6-3-7-14-10-12/h6,11,13H,1-5,7-10H2
InChIKeyVCFRBERCBBJOJK-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.11
Rot. Bonds4

About 1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine

1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine (PubChem CID 115741810) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine
PubChem CID115741810
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine
SMILESC1=C(CNCC2CCCC2)COCC1
InChIInChI=1S/C12H21NO/c1-2-5-11(4-1)8-13-9-12-6-3-7-14-10-12/h6,11,13H,1-5,7-10H2
InChIKeyVCFRBERCBBJOJK-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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
4-(Cyclopentylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404626
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)-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)-5-methylhexan-2-amine
CID 115741743
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylbutan-1-amine
CID 115741746
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
N-(3,6-dihydro-2H-pyran-5-ylmethyl)pentan-1-amine
CID 115741757
N-(3,6-dihydro-2H-pyran-5-ylmethyl)octan-1-amine
CID 115741794

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine?
The IUPAC name of 1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine (CID 115741810) is 1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine is C1=C(CNCC2CCCC2)COCC1.
What is the InChIKey of 1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine?
The InChIKey is VCFRBERCBBJOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-5-11(4-1)8-13-9-12-6-3-7-14-10-12/h6,11,13H,1-5,7-10H2.
What are the key properties of 1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine?
1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)methanamine is sourced from PubChem (CID 115741810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).