7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene

C18H25N — CID 171606106

IUPAC7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene
SMILESCN1Cc2cc(C(C)(C)C)cc3c2C(CC2CC32)C1
InChIInChI=1S/C18H25N/c1-18(2,3)14-6-13-10-19(4)9-12-5-11-7-15(11)16(8-14)17(12)13/h6,8,11-12,15H,5,7,9-10H2,1-4H3
InChIKeyQNESZTHNTNZQFF-UHFFFAOYSA-N
MW255.40 g/mol
LogP4.02
Rot. Bonds

About 7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene

7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene (PubChem CID 171606106) has the molecular formula C18H25N and a molecular weight of 255.40 g/mol. Its IUPAC name is 7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene.

Molecular Properties

Compound Name7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene
PubChem CID171606106
Molecular FormulaC18H25N
Molecular Weight255.40 g/mol
Exact Mass255.20
IUPAC Name7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene
SMILESCN1Cc2cc(C(C)(C)C)cc3c2C(CC2CC32)C1
InChIInChI=1S/C18H25N/c1-18(2,3)14-6-13-10-19(4)9-12-5-11-7-15(11)16(8-14)17(12)13/h6,8,11-12,15H,5,7,9-10H2,1-4H3
InChIKeyQNESZTHNTNZQFF-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene?
The IUPAC name of 7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene (CID 171606106) is 7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene.
What is the SMILES notation for 7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene?
The canonical SMILES for 7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene is CN1Cc2cc(C(C)(C)C)cc3c2C(CC2CC32)C1.
What is the InChIKey of 7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene?
The InChIKey is QNESZTHNTNZQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-18(2,3)14-6-13-10-19(4)9-12-5-11-7-15(11)16(8-14)17(12)13/h6,8,11-12,15H,5,7,9-10H2,1-4H3.
What are the key properties of 7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene?
7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene has a molecular weight of 255.40 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-methyl-3-azatetracyclo[7.4.1.05,14.010,12]tetradeca-5(14),6,8-triene is sourced from PubChem (CID 171606106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).