CID 101119102

C31H63N2O — CID 101119102

IUPAC—
SMILESCCCCCCCCCCCCCCCCCCCCCCNC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C31H63N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32-29-27-30(2,3)33(34)31(4,5)28-29/h29,32H,6-28H2,1-5H3
InChIKeyGQGXHYSGBFDQEE-UHFFFAOYSA-N
MW479.86 g/mol
LogP9.77
Rot. Bonds22

About CID 101119102

CID 101119102 (PubChem CID 101119102) has the molecular formula C31H63N2O and a molecular weight of 479.86 g/mol.

Molecular Properties

Compound NameCID 101119102
PubChem CID101119102
Molecular FormulaC31H63N2O
Molecular Weight479.86 g/mol
Exact Mass479.49
IUPAC Name—
SMILESCCCCCCCCCCCCCCCCCCCCCCNC1CC(C)(C)N([O])C(C)(C)C1
InChIInChI=1S/C31H63N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32-29-27-30(2,3)33(34)31(4,5)28-29/h29,32H,6-28H2,1-5H3
InChIKeyGQGXHYSGBFDQEE-UHFFFAOYSA-N
XLogP9.77
TPSA35.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.86
LogP ≤ 59.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine
CID 173322725
N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine
CID 174683339
CID 101170549
CID 101170549
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
CID 141252974
CID 11459117
CID 11459117
CID 153419566
CID 153419566
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 68740612
CID 90849890
CID 90849890
N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one
CID 159184325
N'-(aminomethyl)ethane-1,2-diamine;N-butyl-1,2,2,6,6-pentamethylpiperidin-4-amine
CID 159126034
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044

Frequently Asked Questions

What is the IUPAC name of CID 101119102?
The IUPAC name of CID 101119102 (CID 101119102) is not available.
What is the SMILES notation for CID 101119102?
The canonical SMILES for CID 101119102 is CCCCCCCCCCCCCCCCCCCCCCNC1CC(C)(C)N([O])C(C)(C)C1.
What is the InChIKey of CID 101119102?
The InChIKey is GQGXHYSGBFDQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H63N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-32-29-27-30(2,3)33(34)31(4,5)28-29/h29,32H,6-28H2,1-5H3.
What are the key properties of CID 101119102?
CID 101119102 has a molecular weight of 479.86 g/mol, XLogP of 9.77, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101119102 is sourced from PubChem (CID 101119102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).