CID 135014316

C15H23N3+ — CID 135014316

IUPAC—
SMILESCCCCC1=C2NC(N)=[NH+][C]3CCC(=C32)C[C@@H]1C
InChIInChI=1S/C15H23N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h9,17-18H,3-8,16H2,1-2H3/q+1/t9-/m0/s1
InChIKeyICDLVYGXKQQBQJ-VIFPVBQESA-N
MW245.37 g/mol
LogP1.09
Rot. Bonds3

About CID 135014316

CID 135014316 (PubChem CID 135014316) has the molecular formula C15H23N3+ and a molecular weight of 245.37 g/mol.

Molecular Properties

Compound NameCID 135014316
PubChem CID135014316
Molecular FormulaC15H23N3+
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name—
SMILESCCCCC1=C2NC(N)=[NH+][C]3CCC(=C32)C[C@@H]1C
InChIInChI=1S/C15H23N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h9,17-18H,3-8,16H2,1-2H3/q+1/t9-/m0/s1
InChIKeyICDLVYGXKQQBQJ-VIFPVBQESA-N
XLogP1.09
TPSA52.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 135014316?
The IUPAC name of CID 135014316 (CID 135014316) is not available.
What is the SMILES notation for CID 135014316?
The canonical SMILES for CID 135014316 is CCCCC1=C2NC(N)=[NH+][C]3CCC(=C32)C[C@@H]1C.
What is the InChIKey of CID 135014316?
The InChIKey is ICDLVYGXKQQBQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H23N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h9,17-18H,3-8,16H2,1-2H3/q+1/t9-/m0/s1.
What are the key properties of CID 135014316?
CID 135014316 has a molecular weight of 245.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135014316 is sourced from PubChem (CID 135014316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).