(4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

C15H20N2 — CID 134279603

IUPAC(4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESC1=CN2CCNCC3=CCCC(=C32)[C@H]1C1CC1
InChIInChI=1S/C15H20N2/c1-2-12-10-16-7-9-17-8-6-13(11-4-5-11)14(3-1)15(12)17/h2,6,8,11,13,16H,1,3-5,7,9-10H2/t13-/m1/s1
InChIKeyNYRZOXDKJFVHDD-CYBMUJFWSA-N
MW228.34 g/mol
LogP2.42
Rot. Bonds1

About (4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

(4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (PubChem CID 134279603) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.

Molecular Properties

Compound Name(4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
PubChem CID134279603
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESC1=CN2CCNCC3=CCCC(=C32)[C@H]1C1CC1
InChIInChI=1S/C15H20N2/c1-2-12-10-16-7-9-17-8-6-13(11-4-5-11)14(3-1)15(12)17/h2,6,8,11,13,16H,1,3-5,7,9-10H2/t13-/m1/s1
InChIKeyNYRZOXDKJFVHDD-CYBMUJFWSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,2-Trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279491
(4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279507
(4S)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279543
4-(2,2-Difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279615
4-Cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile
CID 134279572
4-Cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279574
(4S)-4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279583
(4R)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279591
4-Cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279626
(4R)-4-cyclobutyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279640
Spiro[1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-4,1'-cyclopropane]
CID 137521947
Spiro[1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-4,1'-cyclopentane]
CID 137521949

Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The IUPAC name of (4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (CID 134279603) is (4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.
What is the SMILES notation for (4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The canonical SMILES for (4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is C1=CN2CCNCC3=CCCC(=C32)[C@H]1C1CC1.
What is the InChIKey of (4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The InChIKey is NYRZOXDKJFVHDD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-12-10-16-7-9-17-8-6-13(11-4-5-11)14(3-1)15(12)17/h2,6,8,11,13,16H,1,3-5,7,9-10H2/t13-/m1/s1.
What are the key properties of (4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
(4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene has a molecular weight of 228.34 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is sourced from PubChem (CID 134279603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).