N-(2-butan-2-yloxypropyl)cyclopropanamine

C10H21NO — CID 62453628

IUPACN-(2-butan-2-yloxypropyl)cyclopropanamine
SMILESCCC(C)OC(C)CNC1CC1
InChIInChI=1S/C10H21NO/c1-4-8(2)12-9(3)7-11-10-5-6-10/h8-11H,4-7H2,1-3H3
InChIKeyMGCAVRQQJRWTPS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds6

About N-(2-butan-2-yloxypropyl)cyclopropanamine

N-(2-butan-2-yloxypropyl)cyclopropanamine (PubChem CID 62453628) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(2-butan-2-yloxypropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-butan-2-yloxypropyl)cyclopropanamine
PubChem CID62453628
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(2-butan-2-yloxypropyl)cyclopropanamine
SMILESCCC(C)OC(C)CNC1CC1
InChIInChI=1S/C10H21NO/c1-4-8(2)12-9(3)7-11-10-5-6-10/h8-11H,4-7H2,1-3H3
InChIKeyMGCAVRQQJRWTPS-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propoxypropyl)cyclopropanamine
CID 62451872
N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclohexanamine
CID 66276847
N-(2-ethyl-3-methylbutyl)cyclopropanamine
CID 62529769
N-(2-cycloheptyloxypropyl)cyclopropanamine
CID 62460037
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propyl]cyclopropanamine
CID 112589849
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112
N-(2-tert-butyl-3-methylpentyl)cyclopropanamine
CID 83138542
N-(2-ethoxypropyl)cyclooctanamine
CID 115724296
azane;2-butan-2-yloxybutane
CID 87187028
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
CID 62108578
N-(3-butan-2-yloxy-2,2-difluoropropyl)cyclopropanamine
CID 165462321
1-N-cyclopropyl-2-N-ethyl-2-N-(2-methylbutyl)propane-1,2-diamine
CID 79482589

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-yloxypropyl)cyclopropanamine?
The IUPAC name of N-(2-butan-2-yloxypropyl)cyclopropanamine (CID 62453628) is N-(2-butan-2-yloxypropyl)cyclopropanamine.
What is the SMILES notation for N-(2-butan-2-yloxypropyl)cyclopropanamine?
The canonical SMILES for N-(2-butan-2-yloxypropyl)cyclopropanamine is CCC(C)OC(C)CNC1CC1.
What is the InChIKey of N-(2-butan-2-yloxypropyl)cyclopropanamine?
The InChIKey is MGCAVRQQJRWTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-8(2)12-9(3)7-11-10-5-6-10/h8-11H,4-7H2,1-3H3.
What are the key properties of N-(2-butan-2-yloxypropyl)cyclopropanamine?
N-(2-butan-2-yloxypropyl)cyclopropanamine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-yloxypropyl)cyclopropanamine is sourced from PubChem (CID 62453628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).