N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide

C12H26N2O3 — CID 134270021

IUPACN-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide
SMILESCOCC(C)CN(CN)C(=O)C(C)C(C)OC
InChIInChI=1S/C12H26N2O3/c1-9(7-16-4)6-14(8-13)12(15)10(2)11(3)17-5/h9-11H,6-8,13H2,1-5H3
InChIKeyWCHVQFZXSSTLLP-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.68
Rot. Bonds8

About N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide

N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide (PubChem CID 134270021) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide
PubChem CID134270021
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide
SMILESCOCC(C)CN(CN)C(=O)C(C)C(C)OC
InChIInChI=1S/C12H26N2O3/c1-9(7-16-4)6-14(8-13)12(15)10(2)11(3)17-5/h9-11H,6-8,13H2,1-5H3
InChIKeyWCHVQFZXSSTLLP-UHFFFAOYSA-N
XLogP0.68
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxy-2-methylpropyl)-1-methylhydrazine
CID 126997518
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63066155
2-[2-(dimethylamino)ethyl-(4-methoxy-3-methylbutanoyl)amino]acetic acid
CID 103802618
(3-methoxy-2-methylbutoxy)carbonyloxy (3-methoxy-2-methylbutyl) carbonate
CID 139761733
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-methoxypropanamide
CID 81081227
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide
CID 107493240
2-(aminomethyl)-5-methoxy-4-methylpentanoic acid;hydrochloride
CID 122163311
N-(2-amino-3-methoxypropyl)-N,2-dimethylpropanamide
CID 63754189
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502
4-methoxy-3-methylbutanoate
CID 22362636
methane;1-methoxy-2-methylbutane
CID 159281556
3-methoxy-2-methylpropane-1-thiol
CID 21429472

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide?
The IUPAC name of N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide (CID 134270021) is N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide.
What is the SMILES notation for N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide?
The canonical SMILES for N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide is COCC(C)CN(CN)C(=O)C(C)C(C)OC.
What is the InChIKey of N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide?
The InChIKey is WCHVQFZXSSTLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(7-16-4)6-14(8-13)12(15)10(2)11(3)17-5/h9-11H,6-8,13H2,1-5H3.
What are the key properties of N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide?
N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide has a molecular weight of 246.35 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-3-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylbutanamide is sourced from PubChem (CID 134270021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).