N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine

C19H28N2 — CID 19785450

IUPACN,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
SMILESCN(C)c1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3
InChIInChI=1S/C19H28N2/c1-20(2)15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-21(18)3/h7-8,13,16,18H,4-6,9-12H2,1-3H3
InChIKeyYVDZNYZIFGWCEP-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.44
Rot. Bonds1

About N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine

N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine (PubChem CID 19785450) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine.

Molecular Properties

Compound NameN,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
PubChem CID19785450
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine
SMILESCN(C)c1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3
InChIInChI=1S/C19H28N2/c1-20(2)15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-21(18)3/h7-8,13,16,18H,4-6,9-12H2,1-3H3
InChIKeyYVDZNYZIFGWCEP-UHFFFAOYSA-N
XLogP3.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
The IUPAC name of N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine (CID 19785450) is N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine.
What is the SMILES notation for N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
The canonical SMILES for N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine is CN(C)c1ccc2c(c1)C13CCCCC1C(C2)N(C)CC3.
What is the InChIKey of N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
The InChIKey is YVDZNYZIFGWCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-20(2)15-8-7-14-12-18-16-6-4-5-9-19(16,17(14)13-15)10-11-21(18)3/h7-8,13,16,18H,4-6,9-12H2,1-3H3.
What are the key properties of N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine?
N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine has a molecular weight of 284.45 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-amine is sourced from PubChem (CID 19785450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).