N-butan-2-yl-N-(tert-butyliminomethyl)formamide

C10H20N2O — CID 134172290

IUPACN-butan-2-yl-N-(tert-butyliminomethyl)formamide
SMILESCCC(C)N(C=O)/C=N/C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-6-9(2)12(8-13)7-11-10(3,4)5/h7-9H,6H2,1-5H3/b11-7+
InChIKeyXNIVFQBJMGMABU-YRNVUSSQSA-N
MW184.28 g/mol
LogP2.07
Rot. Bonds4

About N-butan-2-yl-N-(tert-butyliminomethyl)formamide

N-butan-2-yl-N-(tert-butyliminomethyl)formamide (PubChem CID 134172290) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-butan-2-yl-N-(tert-butyliminomethyl)formamide.

Molecular Properties

Compound NameN-butan-2-yl-N-(tert-butyliminomethyl)formamide
PubChem CID134172290
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-butan-2-yl-N-(tert-butyliminomethyl)formamide
SMILESCCC(C)N(C=O)/C=N/C(C)(C)C
InChIInChI=1S/C10H20N2O/c1-6-9(2)12(8-13)7-11-10(3,4)5/h7-9H,6H2,1-5H3/b11-7+
InChIKeyXNIVFQBJMGMABU-YRNVUSSQSA-N
XLogP2.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N-[2-(diethylamino)ethyl]-N-pentan-3-ylmethanimidamide
CID 166950238
N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine
CID 10060177
N-formyl-N-(5-oxopentan-2-yl)formamide
CID 156711678
N-formyl-N-[(Z)-3-methylpent-3-en-2-yl]formamide
CID 59959773
(Z)-N-tert-butylhex-3-en-1-imine
CID 87184267
N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide
CID 156802605
N-[butan-2-ylsulfanyl(methyl)phosphinothioyl]-N-ethylformamide
CID 117061131
N-(2-phosphanylbutyl)-N-propylformamide
CID 155318199
2-bromo-N-tert-butylpropan-1-imine
CID 12521296
N-tert-butyl-2,3-dimethylbutan-1-imine
CID 148774649
N,N-bis(4-methylpentan-2-yl)formamide
CID 57421709
N-butan-2-yl-N-nitrosoacetamide
CID 87066540

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(tert-butyliminomethyl)formamide?
The IUPAC name of N-butan-2-yl-N-(tert-butyliminomethyl)formamide (CID 134172290) is N-butan-2-yl-N-(tert-butyliminomethyl)formamide.
What is the SMILES notation for N-butan-2-yl-N-(tert-butyliminomethyl)formamide?
The canonical SMILES for N-butan-2-yl-N-(tert-butyliminomethyl)formamide is CCC(C)N(C=O)/C=N/C(C)(C)C.
What is the InChIKey of N-butan-2-yl-N-(tert-butyliminomethyl)formamide?
The InChIKey is XNIVFQBJMGMABU-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6-9(2)12(8-13)7-11-10(3,4)5/h7-9H,6H2,1-5H3/b11-7+.
What are the key properties of N-butan-2-yl-N-(tert-butyliminomethyl)formamide?
N-butan-2-yl-N-(tert-butyliminomethyl)formamide has a molecular weight of 184.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(tert-butyliminomethyl)formamide is sourced from PubChem (CID 134172290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).