CID 159949991

C20H36N4O — CID 159949991

IUPAC—
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H22N2.C7H14N2O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-2-8-7(10)6-4-3-5-9-6/h12-13H,1-10H2;6,9H,2-5H2,1H3,(H,8,10)/t;6-/m.0/s1
InChIKeyOBZFMMDKHGDYRW-ZCMDIHMWSA-N
MW348.54 g/mol
LogP3.70
Rot. Bonds4

About CID 159949991

CID 159949991 (PubChem CID 159949991) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol.

Molecular Properties

Compound NameCID 159949991
PubChem CID159949991
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name—
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C13H22N2.C7H14N2O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-2-8-7(10)6-4-3-5-9-6/h12-13H,1-10H2;6,9H,2-5H2,1H3,(H,8,10)/t;6-/m.0/s1
InChIKeyOBZFMMDKHGDYRW-ZCMDIHMWSA-N
XLogP3.70
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-ethylpyrrolidine-2-carboxamide;molecular hydrogen
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CID 130491299
(2S)-N-butylpyrrolidine-2-carboxamide
CID 22691332
(2S)-N-(2-cyclohexyl-2-oxoethyl)pyrrolidine-2-carboxamide
CID 141027681
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 65224542
(2S)-N-(4-methylpent-2-enyl)pyrrolidine-2-carboxamide
CID 91611145
(2S)-N-[[2,4,6-triethyl-3,5-bis[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 50906055
N-[2-(2-methylpropanoylamino)ethyl]azepane-2-carboxamide
CID 64564235
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
N-(2,2-dimethylbutyl)pyrrolidine-2-carboxamide
CID 103461668

Frequently Asked Questions

What is the IUPAC name of CID 159949991?
The IUPAC name of CID 159949991 (CID 159949991) is not available.
What is the SMILES notation for CID 159949991?
The canonical SMILES for CID 159949991 is C(=NC1CCCCC1)=NC1CCCCC1.CCNC(=O)[C@@H]1CCCN1.
What is the InChIKey of CID 159949991?
The InChIKey is OBZFMMDKHGDYRW-ZCMDIHMWSA-N. The full InChI is InChI=1S/C13H22N2.C7H14N2O/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-2-8-7(10)6-4-3-5-9-6/h12-13H,1-10H2;6,9H,2-5H2,1H3,(H,8,10)/t;6-/m.0/s1.
What are the key properties of CID 159949991?
CID 159949991 has a molecular weight of 348.54 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159949991 is sourced from PubChem (CID 159949991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).