N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide

C13H27NO — CID 167286706

IUPACN-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide
SMILESCCC(C)(C)C(CN(C)C=O)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-8-13(5,6)11(12(2,3)4)9-14(7)10-15/h10-11H,8-9H2,1-7H3
InChIKeyLXBTYNOBOIKIRU-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.17
Rot. Bonds5

About N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide

N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide (PubChem CID 167286706) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide.

Molecular Properties

Compound NameN-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide
PubChem CID167286706
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide
SMILESCCC(C)(C)C(CN(C)C=O)C(C)(C)C
InChIInChI=1S/C13H27NO/c1-8-13(5,6)11(12(2,3)4)9-14(7)10-15/h10-11H,8-9H2,1-7H3
InChIKeyLXBTYNOBOIKIRU-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylbutyl)-N-methylformamide
CID 54514988
N-ethyl-N-methylformamide;propane
CID 144948396
2-ethyl-3,3-dimethylpentanal
CID 172617213
(2S)-2-(formamidomethyl)-3-methylbutanoic acid;(2S)-2-[[formyl(methyl)amino]methyl]-3-methylbutanoic acid;bis(2-methylpropan-2-ol)
CID 157353618
1-N,1-N,3,3-tetramethylpentane-1,2-diamine
CID 130586228
CID 101012974
CID 101012974
N-(3-chloro-2-methoxypropyl)-N-methylformamide
CID 155403248
N-[3-(ethylamino)-2,2-dimethylpropyl]-N-methylformamide
CID 126636089
ethane;N-methyl-N-(5-methylhexyl)formamide;1,1,1-trifluoroethane
CID 178007361
ethyl 2-[[formyl(methyl)amino]methyl]pentanoate
CID 59611373
N-methyl-N-(4-methylpentyl)formamide
CID 54179007
N-(3-aminobutyl)-N-methylformamide
CID 90741055

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide?
The IUPAC name of N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide (CID 167286706) is N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide.
What is the SMILES notation for N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide?
The canonical SMILES for N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide is CCC(C)(C)C(CN(C)C=O)C(C)(C)C.
What is the InChIKey of N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide?
The InChIKey is LXBTYNOBOIKIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-8-13(5,6)11(12(2,3)4)9-14(7)10-15/h10-11H,8-9H2,1-7H3.
What are the key properties of N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide?
N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide has a molecular weight of 213.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-3,3-dimethylpentyl)-N-methylformamide is sourced from PubChem (CID 167286706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).