N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine

C11H23NO — CID 62441685

IUPACN-(2-but-3-enoxypropyl)-2-methylpropan-2-amine
SMILESC=CCCOC(C)CNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-7-8-13-10(2)9-12-11(3,4)5/h6,10,12H,1,7-9H2,2-5H3
InChIKeyLRTRPEROOBLNDP-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.36
Rot. Bonds6

About N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine

N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine (PubChem CID 62441685) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxypropyl)-2-methylpropan-2-amine
PubChem CID62441685
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2-but-3-enoxypropyl)-2-methylpropan-2-amine
SMILESC=CCCOC(C)CNC(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-7-8-13-10(2)9-12-11(3,4)5/h6,10,12H,1,7-9H2,2-5H3
InChIKeyLRTRPEROOBLNDP-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599036
2-ethoxy-N-ethylpent-4-en-1-amine
CID 19107607
N-(1-methoxypropan-2-yl)but-3-en-1-amine
CID 57591334
N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
N,N'-ditert-butyl-2-prop-2-enoxypropane-1,3-diamine
CID 134558566
N-(2-hepta-1,6-dien-4-yloxyethyl)propan-1-amine
CID 138465335
3-but-3-enoxy-N-(2-ethoxyethyl)butan-1-amine
CID 139417949
N-(2-methoxyethyl)-2-methylbut-3-en-2-amine
CID 163848175
N-(2-but-3-en-2-yloxyethyl)propan-1-amine
CID 62382134
2-but-3-enoxy-N,3-dimethylbutan-1-amine
CID 62441508
2-but-3-enoxy-N-ethyl-3-methylbutan-1-amine
CID 62441509
2-but-3-enoxy-3-methyl-N-propylbutan-1-amine
CID 62441510

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine (CID 62441685) is N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine is C=CCCOC(C)CNC(C)(C)C.
What is the InChIKey of N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine?
The InChIKey is LRTRPEROOBLNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-7-8-13-10(2)9-12-11(3,4)5/h6,10,12H,1,7-9H2,2-5H3.
What are the key properties of N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine?
N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxypropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 62441685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).