6-(ethoxyamino)-2-(methylamino)hexanamide

C9H21N3O2 — CID 122650192

IUPAC6-(ethoxyamino)-2-(methylamino)hexanamide
SMILESCCONCCCCC(NC)C(N)=O
InChIInChI=1S/C9H21N3O2/c1-3-14-12-7-5-4-6-8(11-2)9(10)13/h8,11-12H,3-7H2,1-2H3,(H2,10,13)
InChIKeyFAKFEKJLCRWBDP-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.23
Rot. Bonds9

About 6-(ethoxyamino)-2-(methylamino)hexanamide

6-(ethoxyamino)-2-(methylamino)hexanamide (PubChem CID 122650192) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 6-(ethoxyamino)-2-(methylamino)hexanamide.

Molecular Properties

Compound Name6-(ethoxyamino)-2-(methylamino)hexanamide
PubChem CID122650192
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name6-(ethoxyamino)-2-(methylamino)hexanamide
SMILESCCONCCCCC(NC)C(N)=O
InChIInChI=1S/C9H21N3O2/c1-3-14-12-7-5-4-6-8(11-2)9(10)13/h8,11-12H,3-7H2,1-2H3,(H2,10,13)
InChIKeyFAKFEKJLCRWBDP-UHFFFAOYSA-N
XLogP-0.23
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(methylamino)hexanediamide
CID 66221520
methyl 7-amino-6-(methylamino)-7-oxo-2-(propylamino)heptanoate
CID 66222372
(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655
(2S)-N-[(5S)-6-amino-5-[[(2S)-2,6-bis(methylamino)hexanoyl]amino]-6-oxohexyl]-2,6-bis(methylamino)hexanamide;(2S)-2,6-bis(methylamino)hexanamide
CID 160758777
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[6-amino-5-(methylamino)-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropanoic acid
CID 147492080
5-(diaminomethylideneamino)-2-(methylamino)pentanamide
CID 58899050
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
2-(tridecylamino)octanamide
CID 154123950
methyl 9-amino-2-methyl-8-(methylamino)-9-oxo-2-(propylamino)nonanoate
CID 66222381
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;ethane;1-methoxypropane
CID 91472308
N-[(5S)-6-amino-5-(methylamino)-6-oxohexyl]benzamide;1-methoxypropane;propane
CID 90749527

Frequently Asked Questions

What is the IUPAC name of 6-(ethoxyamino)-2-(methylamino)hexanamide?
The IUPAC name of 6-(ethoxyamino)-2-(methylamino)hexanamide (CID 122650192) is 6-(ethoxyamino)-2-(methylamino)hexanamide.
What is the SMILES notation for 6-(ethoxyamino)-2-(methylamino)hexanamide?
The canonical SMILES for 6-(ethoxyamino)-2-(methylamino)hexanamide is CCONCCCCC(NC)C(N)=O.
What is the InChIKey of 6-(ethoxyamino)-2-(methylamino)hexanamide?
The InChIKey is FAKFEKJLCRWBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-14-12-7-5-4-6-8(11-2)9(10)13/h8,11-12H,3-7H2,1-2H3,(H2,10,13).
What are the key properties of 6-(ethoxyamino)-2-(methylamino)hexanamide?
6-(ethoxyamino)-2-(methylamino)hexanamide has a molecular weight of 203.29 g/mol, XLogP of -0.23, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxyamino)-2-(methylamino)hexanamide is sourced from PubChem (CID 122650192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).