3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine

C20H38N2 — CID 134842907

IUPAC3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCC2(CC1)CCC1(CCCCC1)CC2
InChIInChI=1S/C20H38N2/c1-21(2)15-6-16-22-17-13-20(14-18-22)11-9-19(10-12-20)7-4-3-5-8-19/h3-18H2,1-2H3
InChIKeyCBSARIHVBMPRSU-UHFFFAOYSA-N
MW306.54 g/mol
LogP4.54
Rot. Bonds4

About 3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine

3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine (PubChem CID 134842907) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
PubChem CID134842907
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCC2(CC1)CCC1(CCCCC1)CC2
InChIInChI=1S/C20H38N2/c1-21(2)15-6-16-22-17-13-20(14-18-22)11-9-19(10-12-20)7-4-3-5-8-19/h3-18H2,1-2H3
InChIKeyCBSARIHVBMPRSU-UHFFFAOYSA-N
XLogP4.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(8-azaspiro[4.5]decan-8-yl)-N,N-dimethylpropan-1-amine
CID 129349796
3-(3-azaspiro[5.5]undecan-3-yl)-N,N-diethylpropan-1-amine
CID 125489512
N,N-dimethyl-3-(9-methyl-3-azaspiro[5.5]undecan-3-yl)propan-1-amine;dihydrochloride
CID 131886647
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
5-(3-azaspiro[5.5]undecan-3-yl)-N-methylpentan-1-amine
CID 55157288
3-(5-chloropentyl)-3-azaspiro[5.5]undecane
CID 63446917
N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
CID 117007579
7-(3-azaspiro[5.5]undecan-3-yl)heptan-1-amine;hydrochloride
CID 54606300
4-(3-azaspiro[5.5]undecan-3-yl)-N-ethylbutan-1-amine
CID 62931160
8-(6-chlorohexyl)-8-azaspiro[4.5]decane
CID 63447004
5-(8-azaspiro[4.5]decan-8-yl)pentan-1-amine
CID 63157322

Frequently Asked Questions

What is the IUPAC name of 3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine (CID 134842907) is 3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCC2(CC1)CCC1(CCCCC1)CC2.
What is the InChIKey of 3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is CBSARIHVBMPRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-21(2)15-6-16-22-17-13-20(14-18-22)11-9-19(10-12-20)7-4-3-5-8-19/h3-18H2,1-2H3.
What are the key properties of 3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine?
3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 306.54 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(12-azadispiro[5.2.59.26]hexadecan-12-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 134842907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).