N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine

C11H21NO — CID 103074653

IUPACN-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC(C)CC
InChIInChI=1S/C11H21NO/c1-4-10(3)13-8-9(2)7-12-11-5-6-11/h10-12H,2,4-8H2,1,3H3
InChIKeyCWGMUTQVLJQFMH-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds7

About N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074653) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074653
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC(C)CC
InChIInChI=1S/C11H21NO/c1-4-10(3)13-8-9(2)7-12-11-5-6-11/h10-12H,2,4-8H2,1,3H3
InChIKeyCWGMUTQVLJQFMH-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074887
N-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074889
N-tert-butyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074890
N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine
CID 103075040
N-[2-(3,3,3-trifluoropropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103075054
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103075210
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 113772127
3-(2-methylprop-2-enoxy)-N-propan-2-ylpropan-1-amine
CID 62342603
N-(2,2-dimethyl-3-prop-2-enoxypropyl)cyclopropanamine
CID 79620990
N-[2-(but-3-enoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074245
N-[2-(prop-2-enoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074316
N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074317

Frequently Asked Questions

What is the IUPAC name of N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine (CID 103074653) is N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COC(C)CC.
What is the InChIKey of N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is CWGMUTQVLJQFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-10(3)13-8-9(2)7-12-11-5-6-11/h10-12H,2,4-8H2,1,3H3.
What are the key properties of N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-yloxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).