N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine

C11H24N2O — CID 102741076

IUPACN-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine
SMILESCN(CCOCC(C)(C)CN)C1CC1
InChIInChI=1S/C11H24N2O/c1-11(2,8-12)9-14-7-6-13(3)10-4-5-10/h10H,4-9,12H2,1-3H3
InChIKeyBGWREIJEHKXZEH-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds7

About N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine

N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine (PubChem CID 102741076) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine
PubChem CID102741076
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine
SMILESCN(CCOCC(C)(C)CN)C1CC1
InChIInChI=1S/C11H24N2O/c1-11(2,8-12)9-14-7-6-13(3)10-4-5-10/h10H,4-9,12H2,1-3H3
InChIKeyBGWREIJEHKXZEH-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N',2,2-trimethylbutane-1,4-diamine
CID 65246811
N-[2-[2-[cyclopentyl(methyl)amino]ethoxy]ethyl]-N-methylcyclopentanamine
CID 178121516
N'-(1-ethylpiperidin-4-yl)-N',2,2-trimethylbutane-1,4-diamine
CID 65246884
N-methyl-N-[2-[2-(propylamino)ethoxy]ethyl]cyclopropanamine
CID 102740758
N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]cyclopropanamine
CID 102740741
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylpropan-1-amine
CID 103406340
ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine
CID 176920815
2-[2-[cyclopropyl(methyl)amino]ethoxy]acetic acid
CID 143874023
N-methyl-N-[2-[6-(2-methylpropylamino)hexoxy]ethyl]cyclopropanamine
CID 102740718
4-[methyl(2-propoxyethyl)amino]cyclohexan-1-one
CID 106452882
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104565100
3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106668062

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine?
The IUPAC name of N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine (CID 102741076) is N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine is CN(CCOCC(C)(C)CN)C1CC1.
What is the InChIKey of N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine?
The InChIKey is BGWREIJEHKXZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,8-12)9-14-7-6-13(3)10-4-5-10/h10H,4-9,12H2,1-3H3.
What are the key properties of N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine?
N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-2,2-dimethylpropoxy)ethyl]-N-methylcyclopropanamine is sourced from PubChem (CID 102741076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).