butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide

C17H39NO3 — CID 88675632

IUPACbutane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide
SMILESCC(C)N(C=O)C(C)C.CCCC.CCOC(C)OCC
InChIInChI=1S/C7H15NO.C6H14O2.C4H10/c1-6(2)8(5-9)7(3)4;1-4-7-6(3)8-5-2;1-3-4-2/h5-7H,1-4H3;6H,4-5H2,1-3H3;3-4H2,1-2H3
InChIKeyGZXXZPDGUKWRRA-UHFFFAOYSA-N
MW305.50 g/mol
LogP4.47
Rot. Bonds8

About butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide

butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide (PubChem CID 88675632) has the molecular formula C17H39NO3 and a molecular weight of 305.50 g/mol. Its IUPAC name is butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide.

Molecular Properties

Compound Namebutane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide
PubChem CID88675632
Molecular FormulaC17H39NO3
Molecular Weight305.50 g/mol
Exact Mass305.29
IUPAC Namebutane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide
SMILESCC(C)N(C=O)C(C)C.CCCC.CCOC(C)OCC
InChIInChI=1S/C7H15NO.C6H14O2.C4H10/c1-6(2)8(5-9)7(3)4;1-4-7-6(3)8-5-2;1-3-4-2/h5-7H,1-4H3;6H,4-5H2,1-3H3;3-4H2,1-2H3
InChIKeyGZXXZPDGUKWRRA-UHFFFAOYSA-N
XLogP4.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.50
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetaldehyde;butane;1,1-diethoxyethane
CID 87162704
1,1-diethoxyethane
CID 7765
1,1-diethoxyethane;2-methylpropanedial
CID 88830026
butane;1,1-diethoxyethane;ethenone
CID 87967694
1,1-diethoxyethane;sulfane
CID 87563963
1,1-diethoxyethane;stannane
CID 87529398
CID 171374592
CID 171374592
2-bromoacetaldehyde;1,1-diethoxyethane;ethene
CID 87787901
1-[(1R)-1-ethoxyethoxy]-2-methylpropane
CID 40566537
carbonic acid;1,1-diethoxyethane
CID 87827362
acetaldehyde;1,1-diethoxyethane;propane-1,2-diol
CID 87169922
2-bromopropanal;cyclopropane;1,1-diethoxyethane
CID 87882353

Frequently Asked Questions

What is the IUPAC name of butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide?
The IUPAC name of butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide (CID 88675632) is butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide.
What is the SMILES notation for butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide?
The canonical SMILES for butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide is CC(C)N(C=O)C(C)C.CCCC.CCOC(C)OCC.
What is the InChIKey of butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide?
The InChIKey is GZXXZPDGUKWRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H14O2.C4H10/c1-6(2)8(5-9)7(3)4;1-4-7-6(3)8-5-2;1-3-4-2/h5-7H,1-4H3;6H,4-5H2,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide?
butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide has a molecular weight of 305.50 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1,1-diethoxyethane;N,N-di(propan-2-yl)formamide is sourced from PubChem (CID 88675632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).