N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide

C13H28N2O — CID 63834541

IUPACN-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
SMILESCCNCCCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-14-8-7-9-15-12(16)10-11(2)13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyWZMCUGDKROYHPF-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.17
Rot. Bonds7

About N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide

N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide (PubChem CID 63834541) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
PubChem CID63834541
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
SMILESCCNCCCNC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C13H28N2O/c1-6-14-8-7-9-15-12(16)10-11(2)13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16)
InChIKeyWZMCUGDKROYHPF-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxypentyl)-3,4,4-trimethylpentanamide
CID 107300156
N-(4-aminopentyl)-3,4,4-trimethylpentanamide
CID 106122483
N-(6-iodohexyl)-3,4,4-trimethylpentanamide
CID 107848081
N-(3-cyanopropyl)-3,4,4-trimethylpentanamide
CID 63832913
N-[3-(ethylamino)propyl]-9-(3-methylbutanoylamino)nonanamide;propane
CID 168958672
N-[2-(2-methoxyethylamino)ethyl]-3,4,4-trimethylpentanamide
CID 82993574
N-[3-(ethylamino)propyl]-3-oxobutanamide
CID 170655625
N-[3-(ethylamino)propyl]-2-sulfanylpropanamide
CID 107023996
N-[2-(2-hydroxyethoxy)ethyl]-3,4,4-trimethylpentanamide
CID 63832411
N-[4-(ethylamino)butyl]-2-hydroxyacetamide
CID 147841199
N-(cyanomethyl)-3,4,4-trimethylpentanamide
CID 63820858
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
CID 65284261

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide?
The IUPAC name of N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide (CID 63834541) is N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide?
The canonical SMILES for N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide is CCNCCCNC(=O)CC(C)C(C)(C)C.
What is the InChIKey of N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide?
The InChIKey is WZMCUGDKROYHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-14-8-7-9-15-12(16)10-11(2)13(3,4)5/h11,14H,6-10H2,1-5H3,(H,15,16).
What are the key properties of N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide?
N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63834541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).