N,N'-bis[bis(dimethylamino)methylidene]pentanediamide

C15H30N6O2 — CID 177107454

IUPACN,N'-bis[bis(dimethylamino)methylidene]pentanediamide
SMILESCN(C)C(=NC(=O)CCCC(=O)N=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C15H30N6O2/c1-18(2)14(19(3)4)16-12(22)10-9-11-13(23)17-15(20(5)6)21(7)8/h9-11H2,1-8H3
InChIKeyUXOPZIWVWFMVOY-UHFFFAOYSA-N
MW326.45 g/mol
LogP0.17
Rot. Bonds4

About N,N'-bis[bis(dimethylamino)methylidene]pentanediamide

N,N'-bis[bis(dimethylamino)methylidene]pentanediamide (PubChem CID 177107454) has the molecular formula C15H30N6O2 and a molecular weight of 326.45 g/mol. Its IUPAC name is N,N'-bis[bis(dimethylamino)methylidene]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[bis(dimethylamino)methylidene]pentanediamide
PubChem CID177107454
Molecular FormulaC15H30N6O2
Molecular Weight326.45 g/mol
Exact Mass326.24
IUPAC NameN,N'-bis[bis(dimethylamino)methylidene]pentanediamide
SMILESCN(C)C(=NC(=O)CCCC(=O)N=C(N(C)C)N(C)C)N(C)C
InChIInChI=1S/C15H30N6O2/c1-18(2)14(19(3)4)16-12(22)10-9-11-13(23)17-15(20(5)6)21(7)8/h9-11H2,1-8H3
InChIKeyUXOPZIWVWFMVOY-UHFFFAOYSA-N
XLogP0.17
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide
CID 174700113
N,N'-bis(1-aminoethylidene)hexanediamide
CID 87475863
N,5-dioxohexanamide
CID 146976894
N'-(diaminomethylidene)pentanediamide
CID 146034361
methyl 5-(dimethylamino)-5-oxopentanoate
CID 11615262
N-oxotetradecanamide
CID 87730431
N-oxooctanamide
CID 87234486
[bis(dimethylamino)methylideneamino] dodecanoate
CID 141191449
methyl 7-[bis(dimethylamino)methylideneamino]heptanoate;hydroiodide
CID 111040562
1,1,3,3-tetramethyl-2-(N,N,N'-trimethylcarbamimidoyl)guanidine
CID 58112258
1-N,3-N-bis[bis(dimethylamino)methylidene]benzene-1,3-dicarboxamide
CID 71375198
methyl N-[bis(dimethylamino)methylidenecarbamothioyl]carbamate
CID 135083719

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[bis(dimethylamino)methylidene]pentanediamide?
The IUPAC name of N,N'-bis[bis(dimethylamino)methylidene]pentanediamide (CID 177107454) is N,N'-bis[bis(dimethylamino)methylidene]pentanediamide.
What is the SMILES notation for N,N'-bis[bis(dimethylamino)methylidene]pentanediamide?
The canonical SMILES for N,N'-bis[bis(dimethylamino)methylidene]pentanediamide is CN(C)C(=NC(=O)CCCC(=O)N=C(N(C)C)N(C)C)N(C)C.
What is the InChIKey of N,N'-bis[bis(dimethylamino)methylidene]pentanediamide?
The InChIKey is UXOPZIWVWFMVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N6O2/c1-18(2)14(19(3)4)16-12(22)10-9-11-13(23)17-15(20(5)6)21(7)8/h9-11H2,1-8H3.
What are the key properties of N,N'-bis[bis(dimethylamino)methylidene]pentanediamide?
N,N'-bis[bis(dimethylamino)methylidene]pentanediamide has a molecular weight of 326.45 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[bis(dimethylamino)methylidene]pentanediamide is sourced from PubChem (CID 177107454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).