CID 156841309

C20H31N3 — CID 156841309

IUPAC—
SMILES[CH]=C(NC1CCC(N(C)C)CC1)C1=C[CH]C2=NC(C)=C(C)C2=C1.[H][H].[H][H]
InChIInChI=1S/C20H27N3.2H2/c1-13-14(2)22-20-11-6-16(12-19(13)20)15(3)21-17-7-9-18(10-8-17)23(4)5;;/h3,6,11-12,17-18,21H,7-10H2,1-2,4-5H3;2*1H
InChIKeyBOPSRQFREGWCSY-UHFFFAOYSA-N
MW313.49 g/mol
LogP4.08
Rot. Bonds4

About CID 156841309

CID 156841309 (PubChem CID 156841309) has the molecular formula C20H31N3 and a molecular weight of 313.49 g/mol.

Molecular Properties

Compound NameCID 156841309
PubChem CID156841309
Molecular FormulaC20H31N3
Molecular Weight313.49 g/mol
Exact Mass313.25
IUPAC Name—
SMILES[CH]=C(NC1CCC(N(C)C)CC1)C1=C[CH]C2=NC(C)=C(C)C2=C1.[H][H].[H][H]
InChIInChI=1S/C20H27N3.2H2/c1-13-14(2)22-20-11-6-16(12-19(13)20)15(3)21-17-7-9-18(10-8-17)23(4)5;;/h3,6,11-12,17-18,21H,7-10H2,1-2,4-5H3;2*1H
InChIKeyBOPSRQFREGWCSY-UHFFFAOYSA-N
XLogP4.08
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 156841309?
The IUPAC name of CID 156841309 (CID 156841309) is not available.
What is the SMILES notation for CID 156841309?
The canonical SMILES for CID 156841309 is [CH]=C(NC1CCC(N(C)C)CC1)C1=C[CH]C2=NC(C)=C(C)C2=C1.[H][H].[H][H].
What is the InChIKey of CID 156841309?
The InChIKey is BOPSRQFREGWCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3.2H2/c1-13-14(2)22-20-11-6-16(12-19(13)20)15(3)21-17-7-9-18(10-8-17)23(4)5;;/h3,6,11-12,17-18,21H,7-10H2,1-2,4-5H3;2*1H.
What are the key properties of CID 156841309?
CID 156841309 has a molecular weight of 313.49 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156841309 is sourced from PubChem (CID 156841309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).