(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane

C15H26N2 — CID 134844763

IUPAC(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
SMILESC1CCN2C[C@H]3CCCN4CCC[C@H](C2C1)C34
InChIInChI=1S/C15H26N2/c1-2-8-17-11-12-5-3-9-16-10-4-6-13(15(12)16)14(17)7-1/h12-15H,1-11H2/t12-,13-,14?,15?/m1/s1
InChIKeyUENROKUHQFYYJA-LMRVLLHPSA-N
MW234.39 g/mol
LogP2.35
Rot. Bonds

About (1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane

(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane (PubChem CID 134844763) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane.

Molecular Properties

Compound Name(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
PubChem CID134844763
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
SMILESC1CCN2C[C@H]3CCCN4CCC[C@H](C2C1)C34
InChIInChI=1S/C15H26N2/c1-2-8-17-11-12-5-3-9-16-10-4-6-13(15(12)16)14(17)7-1/h12-15H,1-11H2/t12-,13-,14?,15?/m1/s1
InChIKeyUENROKUHQFYYJA-LMRVLLHPSA-N
XLogP2.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 5271983
(1R,2R,9R,17R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
CID 6350977
1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline
CID 56997162
(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
(2R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
CID 5321390
(1S,2R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
CID 176519862
(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
CID 122130813
(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
CID 169440912
(2R,9S,13R,17S)-1,7-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
CID 25105514
(1R,2R,7S,9S,10R)-3-methyl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 118712532
(5S,6S,12S,15S,19R,20S,22S)-1,11,21-triazahexacyclo[17.3.1.05,22.06,11.012,21.015,20]tricosane
CID 132521315

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane?
The IUPAC name of (1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane (CID 134844763) is (1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane.
What is the SMILES notation for (1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane?
The canonical SMILES for (1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane is C1CCN2C[C@H]3CCCN4CCC[C@H](C2C1)C34.
What is the InChIKey of (1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane?
The InChIKey is UENROKUHQFYYJA-LMRVLLHPSA-N. The full InChI is InChI=1S/C15H26N2/c1-2-8-17-11-12-5-3-9-16-10-4-6-13(15(12)16)14(17)7-1/h12-15H,1-11H2/t12-,13-,14?,15?/m1/s1.
What are the key properties of (1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane?
(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane has a molecular weight of 234.39 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane is sourced from PubChem (CID 134844763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).