N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide

C17H36N2O — CID 121265051

IUPACN-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide
SMILESCCCN(CCNC(=O)CC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C17H36N2O/c1-8-11-19(12-9-16(2,3)4)13-10-18-15(20)14-17(5,6)7/h8-14H2,1-7H3,(H,18,20)
InChIKeyNHQUEZRECVCEEI-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.69
Rot. Bonds8

About N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide

N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide (PubChem CID 121265051) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide
PubChem CID121265051
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide
SMILESCCCN(CCNC(=O)CC(C)(C)C)CCC(C)(C)C
InChIInChI=1S/C17H36N2O/c1-8-11-19(12-9-16(2,3)4)13-10-18-15(20)14-17(5,6)7/h8-14H2,1-7H3,(H,18,20)
InChIKeyNHQUEZRECVCEEI-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide
CID 103814926
N-[2-(diethylamino)ethyl]-4,4-dimethylpentanamide
CID 59170011
4-amino-N-[2-[ethyl(propyl)amino]ethyl]-4-methylpentanamide
CID 103814940
3,3-dimethyl-N-tetradecylbutanamide
CID 156529855
N-[2-(dipropylamino)ethyl]hexadecanamide
CID 19068804
N-[2-[2-(butanoylamino)ethyl-propylamino]ethyl]pentanamide
CID 156706251
N-[2-[2-[bis[2-(propanoylamino)ethyl]amino]ethyl-[2-(propanoylamino)ethyl]amino]ethyl]propanamide
CID 129308455
N-(3,3-dimethylbutyl)butanamide
CID 115580246
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 104919958
ethane;N-ethyl-3,3-dimethylbutanamide;tungsten(2+)
CID 148872040
4-[2-(diethylamino)ethylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43529401
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide (CID 121265051) is N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide is CCCN(CCNC(=O)CC(C)(C)C)CCC(C)(C)C.
What is the InChIKey of N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide?
The InChIKey is NHQUEZRECVCEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-8-11-19(12-9-16(2,3)4)13-10-18-15(20)14-17(5,6)7/h8-14H2,1-7H3,(H,18,20).
What are the key properties of N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide?
N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide has a molecular weight of 284.49 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,3-dimethylbutyl(propyl)amino]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 121265051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).