N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine

C12H25NO — CID 103984909

IUPACN-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCCOCC(CNC1CC1)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-14-9-10(12(2,3)4)8-13-11-6-7-11/h10-11,13H,5-9H2,1-4H3
InChIKeySYYHMBRZYJTIPY-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine

N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine (PubChem CID 103984909) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine
PubChem CID103984909
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine
SMILESCCOCC(CNC1CC1)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-5-14-9-10(12(2,3)4)8-13-11-6-7-11/h10-11,13H,5-9H2,1-4H3
InChIKeySYYHMBRZYJTIPY-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
N-(2-tert-butyloctyl)cyclopropanamine
CID 83138646
N-(2-tert-butylnonyl)cyclopropanamine
CID 83139036
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
N-[3-(1-ethoxypropan-2-yloxy)-2-methylpropyl]cyclopropanamine
CID 103489367
N-(2-tert-butyl-3-methylpentyl)cyclopropanamine
CID 83138542
N-[2-(2-ethoxyethyl)-3-methylbutyl]cyclopropanamine
CID 62529954
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
N-[2-(1-ethoxypropan-2-yloxy)-3-methoxypropyl]cyclopropanamine
CID 103490509
N-[3-ethoxy-2-(4-methylphenyl)propyl]cyclopropanamine
CID 103984754
4-[(3-ethoxy-2-hydroxypropyl)amino]cyclohexane-1-carboxylic acid
CID 63931576
N-[2-[(3,5-dimethylphenyl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83138940

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine (CID 103984909) is N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine is CCOCC(CNC1CC1)C(C)(C)C.
What is the InChIKey of N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine?
The InChIKey is SYYHMBRZYJTIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-14-9-10(12(2,3)4)8-13-11-6-7-11/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine?
N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxymethyl)-3,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 103984909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).