N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine

C14H29NO — CID 66226160

IUPACN-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)OCCC(C)(C)C
InChIInChI=1S/C14H29NO/c1-11(2)13(10-15-12-6-7-12)16-9-8-14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyMNHIWWNYERADGI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine

N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine (PubChem CID 66226160) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine
PubChem CID66226160
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)OCCC(C)(C)C
InChIInChI=1S/C14H29NO/c1-11(2)13(10-15-12-6-7-12)16-9-8-14(3,4)5/h11-13,15H,6-10H2,1-5H3
InChIKeyMNHIWWNYERADGI-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine
CID 113427443
N-[3-methyl-2-(2-methylpropoxy)butyl]cyclopropanamine
CID 62445305
N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
CID 114999821
N-[2-[2-[cyclopropyl(methyl)amino]ethoxy]-3-methylbutyl]cyclopropanamine
CID 102740927
N-[3-methyl-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]butyl]cyclopropanamine
CID 62458467
N-[2-(3,3-dimethylbutoxy)-2-(4-fluorophenyl)ethyl]cyclopropanamine
CID 66227133
N-[3-methyl-2-(oxolan-3-ylmethoxy)butyl]cyclopropanamine
CID 62485595
N-(2-tert-butyl-3-methylpentyl)cyclopropanamine
CID 83138542
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112589849
N-[2-[4-(3,3-dimethylbutoxymethyl)phenyl]propyl]cyclopropanamine
CID 105351062
N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine
CID 62718147
N-(2-propoxypropyl)cyclopropanamine
CID 62451872

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine (CID 66226160) is N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine is CC(C)C(CNC1CC1)OCCC(C)(C)C.
What is the InChIKey of N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine?
The InChIKey is MNHIWWNYERADGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)13(10-15-12-6-7-12)16-9-8-14(3,4)5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine?
N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylbutoxy)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 66226160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).