N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine

C17H28N2 — CID 101222041

IUPACN,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine
SMILESCN(C)c1cc2nc(c1)CCCCCCCCCC2
InChIInChI=1S/C17H28N2/c1-19(2)17-13-15-11-9-7-5-3-4-6-8-10-12-16(14-17)18-15/h13-14H,3-12H2,1-2H3
InChIKeySFZVDDDWJXTZML-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.37
Rot. Bonds1

About N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine

N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine (PubChem CID 101222041) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine.

Molecular Properties

Compound NameN,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine
PubChem CID101222041
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine
SMILESCN(C)c1cc2nc(c1)CCCCCCCCCC2
InChIInChI=1S/C17H28N2/c1-19(2)17-13-15-11-9-7-5-3-4-6-8-10-12-16(14-17)18-15/h13-14H,3-12H2,1-2H3
InChIKeySFZVDDDWJXTZML-UHFFFAOYSA-N
XLogP4.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine?
The IUPAC name of N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine (CID 101222041) is N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine.
What is the SMILES notation for N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine?
The canonical SMILES for N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine is CN(C)c1cc2nc(c1)CCCCCCCCCC2.
What is the InChIKey of N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine?
The InChIKey is SFZVDDDWJXTZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-19(2)17-13-15-11-9-7-5-3-4-6-8-10-12-16(14-17)18-15/h13-14H,3-12H2,1-2H3.
What are the key properties of N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine?
N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine has a molecular weight of 260.42 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(15),12(16),13-trien-14-amine is sourced from PubChem (CID 101222041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).