1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide

C18H28N4O2 — CID 51096052

IUPAC1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide
SMILESCC(C#N)CN(C)C(=O)C1CCCC(C(=O)N(C)CC(C)C#N)C1
InChIInChI=1S/C18H28N4O2/c1-13(9-19)11-21(3)17(23)15-6-5-7-16(8-15)18(24)22(4)12-14(2)10-20/h13-16H,5-8,11-12H2,1-4H3
InChIKeyBIJYPQSNWDQUBN-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.03
Rot. Bonds6

About 1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide

1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide (PubChem CID 51096052) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide
PubChem CID51096052
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide
SMILESCC(C#N)CN(C)C(=O)C1CCCC(C(=O)N(C)CC(C)C#N)C1
InChIInChI=1S/C18H28N4O2/c1-13(9-19)11-21(3)17(23)15-6-5-7-16(8-15)18(24)22(4)12-14(2)10-20/h13-16H,5-8,11-12H2,1-4H3
InChIKeyBIJYPQSNWDQUBN-UHFFFAOYSA-N
XLogP2.03
TPSA88.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide (CID 51096052) is 1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide is CC(C#N)CN(C)C(=O)C1CCCC(C(=O)N(C)CC(C)C#N)C1.
What is the InChIKey of 1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide?
The InChIKey is BIJYPQSNWDQUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13(9-19)11-21(3)17(23)15-6-5-7-16(8-15)18(24)22(4)12-14(2)10-20/h13-16H,5-8,11-12H2,1-4H3.
What are the key properties of 1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide?
1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2-cyanopropyl)-1-N,3-N-dimethylcyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 51096052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).