N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride

C14H22ClNO — CID 2871809

IUPACN-benzyl-2,2-dimethyloxan-4-amine;hydrochloride
SMILESCC1(C)CC(NCc2ccccc2)CCO1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-14(2)10-13(8-9-16-14)15-11-12-6-4-3-5-7-12;/h3-7,13,15H,8-11H2,1-2H3;1H
InChIKeyAIFCVTWNKTUNND-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.16
Rot. Bonds3

About N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride

N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride (PubChem CID 2871809) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2,2-dimethyloxan-4-amine;hydrochloride
PubChem CID2871809
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-benzyl-2,2-dimethyloxan-4-amine;hydrochloride
SMILESCC1(C)CC(NCc2ccccc2)CCO1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-14(2)10-13(8-9-16-14)15-11-12-6-4-3-5-7-12;/h3-7,13,15H,8-11H2,1-2H3;1H
InChIKeyAIFCVTWNKTUNND-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride?
The IUPAC name of N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride (CID 2871809) is N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride.
What is the SMILES notation for N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride?
The canonical SMILES for N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride is CC1(C)CC(NCc2ccccc2)CCO1.Cl.
What is the InChIKey of N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride?
The InChIKey is AIFCVTWNKTUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-14(2)10-13(8-9-16-14)15-11-12-6-4-3-5-7-12;/h3-7,13,15H,8-11H2,1-2H3;1H.
What are the key properties of N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride?
N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2-dimethyloxan-4-amine;hydrochloride is sourced from PubChem (CID 2871809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).