2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide

C14H30N4O — CID 111160108

IUPAC2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N/CC(=O)N(C)C)N(C)CCCC
InChIInChI=1S/C14H30N4O/c1-6-8-10-15-14(18(5)11-9-7-2)16-12-13(19)17(3)4/h6-12H2,1-5H3,(H,15,16)
InChIKeyAZIAGZXHIHKMTD-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.55
Rot. Bonds8

About 2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide

2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111160108) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID111160108
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N/CC(=O)N(C)C)N(C)CCCC
InChIInChI=1S/C14H30N4O/c1-6-8-10-15-14(18(5)11-9-7-2)16-12-13(19)17(3)4/h6-12H2,1-5H3,(H,15,16)
InChIKeyAZIAGZXHIHKMTD-UHFFFAOYSA-N
XLogP1.55
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[butylamino-[hept-6-enyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110043703
2-[[[butyl(methyl)amino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111158477
2-[[butylamino-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049794
2-[[butylamino-[2-(4-methoxyphenoxy)ethyl-methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111363577
2-[[butylamino-[(3-chlorophenyl)methyl-methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111305243
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712
N,N-dimethyl-2-[[[methyl(2-methylprop-2-enyl)amino]-(propylamino)methylidene]amino]acetamide
CID 110049814
2-[[butylamino-[2-[di(propan-2-yl)amino]ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111247023
2-[[butylamino-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049577
2-[[(3-ethoxypropylamino)-[methyl(2-methylprop-2-enyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110049824
2-[[[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038353
N,N'-dibutyl-N'-methylpropanediamide
CID 108941430

Frequently Asked Questions

What is the IUPAC name of 2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide (CID 111160108) is 2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide is CCCCN/C(=N/CC(=O)N(C)C)N(C)CCCC.
What is the InChIKey of 2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is AZIAGZXHIHKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-6-8-10-15-14(18(5)11-9-7-2)16-12-13(19)17(3)4/h6-12H2,1-5H3,(H,15,16).
What are the key properties of 2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 270.42 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butylamino-[butyl(methyl)amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111160108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).