1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine

C14H26N2O — CID 102647731

IUPAC1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(C1=CCCCO1)C1(N(C)C)CCCC1
InChIInChI=1S/C14H26N2O/c1-15-13(12-8-4-7-11-17-12)14(16(2)3)9-5-6-10-14/h8,13,15H,4-7,9-11H2,1-3H3
InChIKeyVXBSNZFYHIBSLG-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.14
Rot. Bonds4

About 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine

1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 102647731) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID102647731
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCNC(C1=CCCCO1)C1(N(C)C)CCCC1
InChIInChI=1S/C14H26N2O/c1-15-13(12-8-4-7-11-17-12)14(16(2)3)9-5-6-10-14/h8,13,15H,4-7,9-11H2,1-3H3
InChIKeyVXBSNZFYHIBSLG-UHFFFAOYSA-N
XLogP2.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine (CID 102647731) is 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine is CNC(C1=CCCCO1)C1(N(C)C)CCCC1.
What is the InChIKey of 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is VXBSNZFYHIBSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-15-13(12-8-4-7-11-17-12)14(16(2)3)9-5-6-10-14/h8,13,15H,4-7,9-11H2,1-3H3.
What are the key properties of 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine?
1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 102647731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).