N-[2-(3-methylbutoxy)butyl]cyclopropanamine

C12H25NO — CID 62445151

IUPACN-[2-(3-methylbutoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCCC(C)C
InChIInChI=1S/C12H25NO/c1-4-12(9-13-11-5-6-11)14-8-7-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyJMWUEOQVLVMVSH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds8

About N-[2-(3-methylbutoxy)butyl]cyclopropanamine

N-[2-(3-methylbutoxy)butyl]cyclopropanamine (PubChem CID 62445151) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)butyl]cyclopropanamine
PubChem CID62445151
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-[2-(3-methylbutoxy)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)OCCC(C)C
InChIInChI=1S/C12H25NO/c1-4-12(9-13-11-5-6-11)14-8-7-10(2)3/h10-13H,4-9H2,1-3H3
InChIKeyJMWUEOQVLVMVSH-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(2-methylpropoxy)ethoxy]butyl]cyclopropanamine
CID 106449904
N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine
CID 62514503
N-(2-pentoxypentyl)cyclopropanamine
CID 83045907
N-[3-methoxy-2-(2-methylpropoxy)propyl]cyclopropanamine
CID 103227787
N-[2-(3-pyridin-4-ylpropoxy)butyl]cyclopropanamine
CID 55077915
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine
CID 62445140
N-(2-propoxypropyl)cyclopropanamine
CID 62451872
N-(2-butan-2-yloxypropyl)cyclopropanamine
CID 62453628
N-(5-methyl-2-propan-2-ylhexyl)cyclopropanamine
CID 62529767
N-[2-(4-methylpentoxy)propyl]cyclopentanamine
CID 62598653
N-(2-ethyl-3-methylbutyl)cyclopropanamine
CID 62529769
3-(3-methylbutoxy)pentanenitrile
CID 43367899

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-(3-methylbutoxy)butyl]cyclopropanamine (CID 62445151) is N-[2-(3-methylbutoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-methylbutoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-methylbutoxy)butyl]cyclopropanamine is CCC(CNC1CC1)OCCC(C)C.
What is the InChIKey of N-[2-(3-methylbutoxy)butyl]cyclopropanamine?
The InChIKey is JMWUEOQVLVMVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-12(9-13-11-5-6-11)14-8-7-10(2)3/h10-13H,4-9H2,1-3H3.
What are the key properties of N-[2-(3-methylbutoxy)butyl]cyclopropanamine?
N-[2-(3-methylbutoxy)butyl]cyclopropanamine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62445151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).