9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride

C16H26Cl2N2O — CID 56773823

IUPAC9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCOC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C16H24N2O.2ClH/c17-15-6-11-19-16(12-15)7-9-18(10-8-16)13-14-4-2-1-3-5-14;;/h1-5,15H,6-13,17H2;2*1H
InChIKeyNMTGMNSYUWSLQJ-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.00
Rot. Bonds2

About 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride

9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride (PubChem CID 56773823) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride.

Molecular Properties

Compound Name9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
PubChem CID56773823
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC Name9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCOC2(CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C16H24N2O.2ClH/c17-15-6-11-19-16(12-15)7-9-18(10-8-16)13-14-4-2-1-3-5-14;;/h1-5,15H,6-13,17H2;2*1H
InChIKeyNMTGMNSYUWSLQJ-UHFFFAOYSA-N
XLogP3.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The IUPAC name of 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride (CID 56773823) is 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride.
What is the SMILES notation for 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The canonical SMILES for 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride is Cl.Cl.NC1CCOC2(CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
The InChIKey is NMTGMNSYUWSLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.2ClH/c17-15-6-11-19-16(12-15)7-9-18(10-8-16)13-14-4-2-1-3-5-14;;/h1-5,15H,6-13,17H2;2*1H.
What are the key properties of 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride?
9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride has a molecular weight of 333.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride is sourced from PubChem (CID 56773823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).