N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine

C14H28N2O — CID 114096172

IUPACN-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCC1CCCCCC1N
InChIInChI=1S/C14H28N2O/c1-11-14(2,8-9-17-11)16-10-12-6-4-3-5-7-13(12)15/h11-13,16H,3-10,15H2,1-2H3
InChIKeyOYVBNEZRGIBQBL-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.05
Rot. Bonds3

About N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine

N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine (PubChem CID 114096172) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine
PubChem CID114096172
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCC1CCCCCC1N
InChIInChI=1S/C14H28N2O/c1-11-14(2,8-9-17-11)16-10-12-6-4-3-5-7-13(12)15/h11-13,16H,3-10,15H2,1-2H3
InChIKeyOYVBNEZRGIBQBL-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine (CID 114096172) is N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine is CC1OCCC1(C)NCC1CCCCCC1N.
What is the InChIKey of N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine?
The InChIKey is OYVBNEZRGIBQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-14(2,8-9-17-11)16-10-12-6-4-3-5-7-13(12)15/h11-13,16H,3-10,15H2,1-2H3.
What are the key properties of N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine?
N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine has a molecular weight of 240.39 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocycloheptyl)methyl]-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 114096172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).