1-ethenoxy-2-methylpropan-1-amine

C6H13NO — CID 154106005

IUPAC1-ethenoxy-2-methylpropan-1-amine
SMILESC=COC(N)C(C)C
InChIInChI=1S/C6H13NO/c1-4-8-6(7)5(2)3/h4-6H,1,7H2,2-3H3
InChIKeyLPQKUNPYXPJGTF-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.09
Rot. Bonds3

About 1-ethenoxy-2-methylpropan-1-amine

1-ethenoxy-2-methylpropan-1-amine (PubChem CID 154106005) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-ethenoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-ethenoxy-2-methylpropan-1-amine
PubChem CID154106005
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-ethenoxy-2-methylpropan-1-amine
SMILESC=COC(N)C(C)C
InChIInChI=1S/C6H13NO/c1-4-8-6(7)5(2)3/h4-6H,1,7H2,2-3H3
InChIKeyLPQKUNPYXPJGTF-UHFFFAOYSA-N
XLogP1.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;1-ethenoxypropan-1-amine
CID 137499271
ethane;1-ethenoxyethanol
CID 143819454
2-ethenoxybutane
CID 13172912
(2S)-but-3-en-2-amine
CID 10034575
1-chloro-2-ethenoxypropane
CID 139939057
1-(1-ethenoxyethoxy)-1-methoxyethane
CID 87088455
(Z,4S)-4-ethenoxypent-2-ene
CID 134859138
ethenyl 2-aminopropanoate
CID 23374910
(Z)-4-ethenoxybut-3-en-2-amine
CID 177037077
1-ethenoxyethylurea
CID 19078685
4-ethenoxyheptane-2,6-diol
CID 174290240
1,2-bis(prop-2-enoxy)propan-1-amine
CID 88546500

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-2-methylpropan-1-amine?
The IUPAC name of 1-ethenoxy-2-methylpropan-1-amine (CID 154106005) is 1-ethenoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-ethenoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-ethenoxy-2-methylpropan-1-amine is C=COC(N)C(C)C.
What is the InChIKey of 1-ethenoxy-2-methylpropan-1-amine?
The InChIKey is LPQKUNPYXPJGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-4-8-6(7)5(2)3/h4-6H,1,7H2,2-3H3.
What are the key properties of 1-ethenoxy-2-methylpropan-1-amine?
1-ethenoxy-2-methylpropan-1-amine has a molecular weight of 115.18 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-2-methylpropan-1-amine is sourced from PubChem (CID 154106005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).