3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride

C19H39ClN2 — CID 54605840

IUPAC3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1CCC2(CCC(C(C)(C)C)CC2)CC1.Cl
InChIInChI=1S/C19H38N2.ClH/c1-18(2,3)17-7-9-19(10-8-17)11-15-21(16-12-19)14-6-13-20(4)5;/h17H,6-16H2,1-5H3;1H
InChIKeyBHZNRXGJZXJXDO-UHFFFAOYSA-N
MW330.99 g/mol
LogP4.68
Rot. Bonds4

About 3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride

3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride (PubChem CID 54605840) has the molecular formula C19H39ClN2 and a molecular weight of 330.99 g/mol. Its IUPAC name is 3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride
PubChem CID54605840
Molecular FormulaC19H39ClN2
Molecular Weight330.99 g/mol
Exact Mass330.28
IUPAC Name3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride
SMILESCN(C)CCCN1CCC2(CCC(C(C)(C)C)CC2)CC1.Cl
InChIInChI=1S/C19H38N2.ClH/c1-18(2,3)17-7-9-19(10-8-17)11-15-21(16-12-19)14-6-13-20(4)5;/h17H,6-16H2,1-5H3;1H
InChIKeyBHZNRXGJZXJXDO-UHFFFAOYSA-N
XLogP4.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.99
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The IUPAC name of 3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride (CID 54605840) is 3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride.
What is the SMILES notation for 3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The canonical SMILES for 3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride is CN(C)CCCN1CCC2(CCC(C(C)(C)C)CC2)CC1.Cl.
What is the InChIKey of 3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
The InChIKey is BHZNRXGJZXJXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2.ClH/c1-18(2,3)17-7-9-19(10-8-17)11-15-21(16-12-19)14-6-13-20(4)5;/h17H,6-16H2,1-5H3;1H.
What are the key properties of 3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride?
3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride has a molecular weight of 330.99 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethylpropan-1-amine;hydrochloride is sourced from PubChem (CID 54605840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).