CID 176925737

C55H102N6 — CID 176925737

IUPAC—
SMILESCC.CCC.CCCN(C[C@@H](C1=C[CH]1)C(C)C)C1CC2(CCN(CC3CCNCC3)CC2)C1.CCCN(C[C@H](C1=C[CH]1)C(C)C)C1CC2(CCN(CC3CCNCC3)CC2)C1
InChIInChI=1S/2C25H44N3.C3H8.C2H6/c2*1-4-13-28(19-24(20(2)3)22-5-6-22)23-16-25(17-23)9-14-27(15-10-25)18-21-7-11-26-12-8-21;1-3-2;1-2/h2*5-6,20-21,23-24,26H,4,7-19H2,1-3H3;3H2,1-2H3;1-2H3/t2*24-;;/m10../s1
InChIKeyFUDDORYQUOYWSD-YYISUBIMSA-N
MW847.46 g/mol
LogP11.16
Rot. Bonds18

About CID 176925737

CID 176925737 (PubChem CID 176925737) has the molecular formula C55H102N6 and a molecular weight of 847.46 g/mol.

Molecular Properties

Compound NameCID 176925737
PubChem CID176925737
Molecular FormulaC55H102N6
Molecular Weight847.46 g/mol
Exact Mass846.82
IUPAC Name—
SMILESCC.CCC.CCCN(C[C@@H](C1=C[CH]1)C(C)C)C1CC2(CCN(CC3CCNCC3)CC2)C1.CCCN(C[C@H](C1=C[CH]1)C(C)C)C1CC2(CCN(CC3CCNCC3)CC2)C1
InChIInChI=1S/2C25H44N3.C3H8.C2H6/c2*1-4-13-28(19-24(20(2)3)22-5-6-22)23-16-25(17-23)9-14-27(15-10-25)18-21-7-11-26-12-8-21;1-3-2;1-2/h2*5-6,20-21,23-24,26H,4,7-19H2,1-3H3;3H2,1-2H3;1-2H3/t2*24-;;/m10../s1
InChIKeyFUDDORYQUOYWSD-YYISUBIMSA-N
XLogP11.16
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.46
LogP ≤ 511.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze CID 176925737 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 157782583
CID 157782583
CID 158063597
CID 158063597
5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine;(6R)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine;(6S)-5-tert-butyl-1,6-dimethyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1,2-dimethylpiperidine;5-tert-butyl-1-ethyl-6-methyl-3,6-dihydro-2H-pyridine;(6S)-5-tert-butyl-1-ethyl-6-methyl-3,6-dihydro-2H-pyridine;(6R)-5-tert-butyl-1-ethyl-6-methyl-3,6-dihydro-2H-pyridine;3-tert-butyl-1-ethyl-2-methylpiperidine;3-tert-butyl-2-methylpiperidine;5-tert-butyl-6-methyl-1,2,3,6-tetrahydropyridine;(6S)-5-tert-butyl-6-methyl-1,2,3,6-tetrahydropyridine;(6R)-5-tert-butyl-6-methyl-1,2,3,6-tetrahydropyridine;(2R,3R)-2,3-dimethylpiperidine;(2S,3R)-2,3-dimethylpiperidine;(2R,3S)-2,3-dimethylpiperidine;(2S,3S)-2,3-dimethylpiperidine;ethane;(2S,3S)-1,2,3-trimethylpiperidine;(2R,3S)-1,2,3-trimethylpiperidine;(2S,3R)-1,2,3-trimethylpiperidine;(2R,3R)-1,2,3-trimethylpiperidine
CID 161139507
N,7-di(propan-2-yl)-7-azaspiro[3.5]nonan-2-amine;2-(2-methylpropylidene)-7-propan-2-yl-7-azaspiro[3.5]nonane;2-(2-methylpropyl)-7-propan-2-yl-7-azaspiro[3.5]nonane
CID 163919469
CID 164115447
CID 164115447
CID 176925738
CID 176925738
CID 176925739
CID 176925739

Frequently Asked Questions

What is the IUPAC name of CID 176925737?
The IUPAC name of CID 176925737 (CID 176925737) is not available.
What is the SMILES notation for CID 176925737?
The canonical SMILES for CID 176925737 is CC.CCC.CCCN(C[C@@H](C1=C[CH]1)C(C)C)C1CC2(CCN(CC3CCNCC3)CC2)C1.CCCN(C[C@H](C1=C[CH]1)C(C)C)C1CC2(CCN(CC3CCNCC3)CC2)C1.
What is the InChIKey of CID 176925737?
The InChIKey is FUDDORYQUOYWSD-YYISUBIMSA-N. The full InChI is InChI=1S/2C25H44N3.C3H8.C2H6/c2*1-4-13-28(19-24(20(2)3)22-5-6-22)23-16-25(17-23)9-14-27(15-10-25)18-21-7-11-26-12-8-21;1-3-2;1-2/h2*5-6,20-21,23-24,26H,4,7-19H2,1-3H3;3H2,1-2H3;1-2H3/t2*24-;;/m10../s1.
What are the key properties of CID 176925737?
CID 176925737 has a molecular weight of 847.46 g/mol, XLogP of 11.16, 18 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176925737 is sourced from PubChem (CID 176925737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).