N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide

C15H31NO — CID 156802605

IUPACN-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide
SMILESCCC(C)CC(C)(CN(C=O)C(C)C)C(C)C
InChIInChI=1S/C15H31NO/c1-8-14(6)9-15(7,12(2)3)10-16(11-17)13(4)5/h11-14H,8-10H2,1-7H3
InChIKeyRMPBKCHLVLRHKK-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.95
Rot. Bonds8

About N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide

N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide (PubChem CID 156802605) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide
PubChem CID156802605
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide
SMILESCCC(C)CC(C)(CN(C=O)C(C)C)C(C)C
InChIInChI=1S/C15H31NO/c1-8-14(6)9-15(7,12(2)3)10-16(11-17)13(4)5/h11-14H,8-10H2,1-7H3
InChIKeyRMPBKCHLVLRHKK-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.95
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

methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
2,2-dimethyl-3-[methyl(2-methylbutyl)amino]propanal
CID 62277918
N-(2-aminoethyl)-N-propan-2-ylformamide
CID 82502410
N-(2-oxopropyl)-N-propan-2-ylformamide
CID 91405611
4,4,6-trimethyloct-2-ene
CID 91386037
(E)-3,8,10,10-tetramethylundec-5-ene
CID 155643591
2,2,4-trimethylhexanoic acid
CID 15564208
3-ethyl-3,5-dimethylheptane;methane
CID 167702557
3-fluoro-3,5-dimethylheptane
CID 123257807
2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol
CID 123580868
(2S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhexanal
CID 46237117

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide?
The IUPAC name of N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide (CID 156802605) is N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide.
What is the SMILES notation for N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide?
The canonical SMILES for N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide is CCC(C)CC(C)(CN(C=O)C(C)C)C(C)C.
What is the InChIKey of N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide?
The InChIKey is RMPBKCHLVLRHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-8-14(6)9-15(7,12(2)3)10-16(11-17)13(4)5/h11-14H,8-10H2,1-7H3.
What are the key properties of N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide?
N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide has a molecular weight of 241.42 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-2-propan-2-ylhexyl)-N-propan-2-ylformamide is sourced from PubChem (CID 156802605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).