CID 177436983

C21H26N4 — CID 177436983

IUPAC—
SMILESCc1ccc(NCCN2[C]N(CCNc3ccc(C)cc3)C=C2)cc1
InChIInChI=1S/C21H26N4/c1-18-3-7-20(8-4-18)22-11-13-24-15-16-25(17-24)14-12-23-21-9-5-19(2)6-10-21/h3-10,15-16,22-23H,11-14H2,1-2H3
InChIKeyXENQEGIREWSYFS-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.91
Rot. Bonds8

About CID 177436983

CID 177436983 (PubChem CID 177436983) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol.

Molecular Properties

Compound NameCID 177436983
PubChem CID177436983
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name—
SMILESCc1ccc(NCCN2[C]N(CCNc3ccc(C)cc3)C=C2)cc1
InChIInChI=1S/C21H26N4/c1-18-3-7-20(8-4-18)22-11-13-24-15-16-25(17-24)14-12-23-21-9-5-19(2)6-10-21/h3-10,15-16,22-23H,11-14H2,1-2H3
InChIKeyXENQEGIREWSYFS-UHFFFAOYSA-N
XLogP3.91
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5376919
N-benzyl-4-methylaniline
CID 79403
4,4'-methylenebis[N,N-diethylaniline]
CID 67288

Frequently Asked Questions

What is the IUPAC name of CID 177436983?
The IUPAC name of CID 177436983 (CID 177436983) is not available.
What is the SMILES notation for CID 177436983?
The canonical SMILES for CID 177436983 is Cc1ccc(NCCN2[C]N(CCNc3ccc(C)cc3)C=C2)cc1.
What is the InChIKey of CID 177436983?
The InChIKey is XENQEGIREWSYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-18-3-7-20(8-4-18)22-11-13-24-15-16-25(17-24)14-12-23-21-9-5-19(2)6-10-21/h3-10,15-16,22-23H,11-14H2,1-2H3.
What are the key properties of CID 177436983?
CID 177436983 has a molecular weight of 334.47 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177436983 is sourced from PubChem (CID 177436983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).