N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide

C18H30N4O2 — CID 3276318

IUPACN,N'-bis[(3-methylcyclohexylidene)amino]butanediamide
SMILESCC1CCCC(=NNC(=O)CCC(=O)NN=C2CCCC(C)C2)C1
InChIInChI=1S/C18H30N4O2/c1-13-5-3-7-15(11-13)19-21-17(23)9-10-18(24)22-20-16-8-4-6-14(2)12-16/h13-14H,3-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAVGQWTXONGCGQY-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.13
Rot. Bonds5

About N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide

N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide (PubChem CID 3276318) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(3-methylcyclohexylidene)amino]butanediamide
PubChem CID3276318
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN,N'-bis[(3-methylcyclohexylidene)amino]butanediamide
SMILESCC1CCCC(=NNC(=O)CCC(=O)NN=C2CCCC(C)C2)C1
InChIInChI=1S/C18H30N4O2/c1-13-5-3-7-15(11-13)19-21-17(23)9-10-18(24)22-20-16-8-4-6-14(2)12-16/h13-14H,3-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAVGQWTXONGCGQY-UHFFFAOYSA-N
XLogP3.13
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide?
The IUPAC name of N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide (CID 3276318) is N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide.
What is the SMILES notation for N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide?
The canonical SMILES for N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide is CC1CCCC(=NNC(=O)CCC(=O)NN=C2CCCC(C)C2)C1.
What is the InChIKey of N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide?
The InChIKey is AVGQWTXONGCGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13-5-3-7-15(11-13)19-21-17(23)9-10-18(24)22-20-16-8-4-6-14(2)12-16/h13-14H,3-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide?
N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide has a molecular weight of 334.46 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(3-methylcyclohexylidene)amino]butanediamide is sourced from PubChem (CID 3276318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).