N-methyl-3-(oxan-3-yl)cycloheptan-1-amine

C13H25NO — CID 107137797

IUPACN-methyl-3-(oxan-3-yl)cycloheptan-1-amine
SMILESCNC1CCCCC(C2CCCOC2)C1
InChIInChI=1S/C13H25NO/c1-14-13-7-3-2-5-11(9-13)12-6-4-8-15-10-12/h11-14H,2-10H2,1H3
InChIKeyDLFGIBZDCUNGNK-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds2

About N-methyl-3-(oxan-3-yl)cycloheptan-1-amine

N-methyl-3-(oxan-3-yl)cycloheptan-1-amine (PubChem CID 107137797) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-methyl-3-(oxan-3-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxan-3-yl)cycloheptan-1-amine
PubChem CID107137797
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-methyl-3-(oxan-3-yl)cycloheptan-1-amine
SMILESCNC1CCCCC(C2CCCOC2)C1
InChIInChI=1S/C13H25NO/c1-14-13-7-3-2-5-11(9-13)12-6-4-8-15-10-12/h11-14H,2-10H2,1H3
InChIKeyDLFGIBZDCUNGNK-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxan-3-yl)cycloheptan-1-amine?
The IUPAC name of N-methyl-3-(oxan-3-yl)cycloheptan-1-amine (CID 107137797) is N-methyl-3-(oxan-3-yl)cycloheptan-1-amine.
What is the SMILES notation for N-methyl-3-(oxan-3-yl)cycloheptan-1-amine?
The canonical SMILES for N-methyl-3-(oxan-3-yl)cycloheptan-1-amine is CNC1CCCCC(C2CCCOC2)C1.
What is the InChIKey of N-methyl-3-(oxan-3-yl)cycloheptan-1-amine?
The InChIKey is DLFGIBZDCUNGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-14-13-7-3-2-5-11(9-13)12-6-4-8-15-10-12/h11-14H,2-10H2,1H3.
What are the key properties of N-methyl-3-(oxan-3-yl)cycloheptan-1-amine?
N-methyl-3-(oxan-3-yl)cycloheptan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxan-3-yl)cycloheptan-1-amine is sourced from PubChem (CID 107137797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).