18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane

C17H29N2+ — CID 74017988

IUPAC18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane
SMILESC1CC2CCC3CC4CCC5CCCC(C(C1)N23)[NH+]54
InChIInChI=1S/C17H28N2/c1-3-12-7-9-14-11-15-10-8-13-4-2-6-17(19(13)15)16(5-1)18(12)14/h12-17H,1-11H2/p+1
InChIKeyCDKSMRJPWIZZPN-UHFFFAOYSA-O
MW261.43 g/mol
LogP1.74
Rot. Bonds

About 18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane

18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane (PubChem CID 74017988) has the molecular formula C17H29N2+ and a molecular weight of 261.43 g/mol. Its IUPAC name is 18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane.

Molecular Properties

Compound Name18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane
PubChem CID74017988
Molecular FormulaC17H29N2+
Molecular Weight261.43 g/mol
Exact Mass261.23
IUPAC Name18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane
SMILESC1CC2CCC3CC4CCC5CCCC(C(C1)N23)[NH+]54
InChIInChI=1S/C17H28N2/c1-3-12-7-9-14-11-15-10-8-13-4-2-6-17(19(13)15)16(5-1)18(12)14/h12-17H,1-11H2/p+1
InChIKeyCDKSMRJPWIZZPN-UHFFFAOYSA-O
XLogP1.74
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane?
The IUPAC name of 18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane (CID 74017988) is 18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane.
What is the SMILES notation for 18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane?
The canonical SMILES for 18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane is C1CC2CCC3CC4CCC5CCCC(C(C1)N23)[NH+]54.
What is the InChIKey of 18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane?
The InChIKey is CDKSMRJPWIZZPN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H28N2/c1-3-12-7-9-14-11-15-10-8-13-4-2-6-17(19(13)15)16(5-1)18(12)14/h12-17H,1-11H2/p+1.
What are the key properties of 18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane?
18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane has a molecular weight of 261.43 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-aza-19-azoniapentacyclo[9.6.1.12,6.014,18.09,19]nonadecane is sourced from PubChem (CID 74017988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).