CID 8609946

C19H27N4O2+ — CID 8609946

IUPAC—
SMILESC[C@@H]1CO[C@]2([NH+]=C(N)[C@@]3(C#N)C4(CCC(C(C)(C)C)CC4)[C@@]23C#N)O1
InChIInChI=1S/C19H26N4O2/c1-12-9-24-19(25-12)18(11-21)16(17(18,10-20)14(22)23-19)7-5-13(6-8-16)15(2,3)4/h12-13H,5-9H2,1-4H3,(H2,22,23)/p+1/t12-,13?,16?,17+,18-,19+/m1/s1
InChIKeyRINPIUGOTMXQNQ-QPAZLFEISA-O
MW343.45 g/mol
LogP0.78
Rot. Bonds

About CID 8609946

CID 8609946 (PubChem CID 8609946) has the molecular formula C19H27N4O2+ and a molecular weight of 343.45 g/mol.

Molecular Properties

Compound NameCID 8609946
PubChem CID8609946
Molecular FormulaC19H27N4O2+
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name—
SMILESC[C@@H]1CO[C@]2([NH+]=C(N)[C@@]3(C#N)C4(CCC(C(C)(C)C)CC4)[C@@]23C#N)O1
InChIInChI=1S/C19H26N4O2/c1-12-9-24-19(25-12)18(11-21)16(17(18,10-20)14(22)23-19)7-5-13(6-8-16)15(2,3)4/h12-13H,5-9H2,1-4H3,(H2,22,23)/p+1/t12-,13?,16?,17+,18-,19+/m1/s1
InChIKeyRINPIUGOTMXQNQ-QPAZLFEISA-O
XLogP0.78
TPSA106.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 8609946?
The IUPAC name of CID 8609946 (CID 8609946) is not available.
What is the SMILES notation for CID 8609946?
The canonical SMILES for CID 8609946 is C[C@@H]1CO[C@]2([NH+]=C(N)[C@@]3(C#N)C4(CCC(C(C)(C)C)CC4)[C@@]23C#N)O1.
What is the InChIKey of CID 8609946?
The InChIKey is RINPIUGOTMXQNQ-QPAZLFEISA-O. The full InChI is InChI=1S/C19H26N4O2/c1-12-9-24-19(25-12)18(11-21)16(17(18,10-20)14(22)23-19)7-5-13(6-8-16)15(2,3)4/h12-13H,5-9H2,1-4H3,(H2,22,23)/p+1/t12-,13?,16?,17+,18-,19+/m1/s1.
What are the key properties of CID 8609946?
CID 8609946 has a molecular weight of 343.45 g/mol, XLogP of 0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 8609946 is sourced from PubChem (CID 8609946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).