N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine

C14H29NO — CID 62723470

IUPACN-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine
SMILESCCC(CC)(CCOC(C)C)CNC1CC1
InChIInChI=1S/C14H29NO/c1-5-14(6-2,9-10-16-12(3)4)11-15-13-7-8-13/h12-13,15H,5-11H2,1-4H3
InChIKeyMGVJNTYYSOVUEC-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds9

About N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine

N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine (PubChem CID 62723470) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine
PubChem CID62723470
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine
SMILESCCC(CC)(CCOC(C)C)CNC1CC1
InChIInChI=1S/C14H29NO/c1-5-14(6-2,9-10-16-12(3)4)11-15-13-7-8-13/h12-13,15H,5-11H2,1-4H3
InChIKeyMGVJNTYYSOVUEC-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine
CID 62718147
N-[2-methyl-2-(2-propan-2-yloxyethyl)pentyl]cyclopropanamine
CID 62725819
N'-cyclopropyl-2,2-diethyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
CID 63495326
3,3-bis(chloromethyl)-1-propan-2-yloxypentane
CID 79447328
N'-cyclopropyl-2,2-diethylpropane-1,3-diamine
CID 115432791
N-(2,2-diethyl-4-propylsulfonylbutyl)cyclopropanamine
CID 106729943
N-cyclopropyl-2,2-diethyl-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62256141
4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 60690321
N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
CID 106456863
N-cyclopropyl-N'-(2-ethoxyethyl)-N',2,2-triethylpropane-1,3-diamine
CID 55225955
2-ethyl-2-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]butan-1-ol
CID 103914568
1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol
CID 62270951

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine?
The IUPAC name of N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine (CID 62723470) is N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine.
What is the SMILES notation for N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine?
The canonical SMILES for N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine is CCC(CC)(CCOC(C)C)CNC1CC1.
What is the InChIKey of N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine?
The InChIKey is MGVJNTYYSOVUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-14(6-2,9-10-16-12(3)4)11-15-13-7-8-13/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine?
N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine is sourced from PubChem (CID 62723470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).