(E)-3-hexoxy-2-methylprop-1-en-1-amine

C10H21NO — CID 144558606

IUPAC(E)-3-hexoxy-2-methylprop-1-en-1-amine
SMILESCCCCCCOC/C(C)=C/N
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-12-9-10(2)8-11/h8H,3-7,9,11H2,1-2H3/b10-8+
InChIKeyKFNISOGMAKANGN-CSKARUKUSA-N
MW171.28 g/mol
LogP2.45
Rot. Bonds7

About (E)-3-hexoxy-2-methylprop-1-en-1-amine

(E)-3-hexoxy-2-methylprop-1-en-1-amine (PubChem CID 144558606) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-3-hexoxy-2-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-hexoxy-2-methylprop-1-en-1-amine
PubChem CID144558606
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-3-hexoxy-2-methylprop-1-en-1-amine
SMILESCCCCCCOC/C(C)=C/N
InChIInChI=1S/C10H21NO/c1-3-4-5-6-7-12-9-10(2)8-11/h8H,3-7,9,11H2,1-2H3/b10-8+
InChIKeyKFNISOGMAKANGN-CSKARUKUSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-Methylprop-2-enoxy)hexan-1-amine
CID 88851944
(E)-2-(methoxymethyl)hex-1-en-1-amine
CID 88943261
2-(Heptoxymethyl)prop-2-en-1-amine
CID 103074513
2-(Hexoxymethyl)prop-2-en-1-amine
CID 103074557
2-(Octoxymethyl)prop-2-en-1-amine
CID 103074562
2-(Pentoxymethyl)prop-2-en-1-amine
CID 103074638

Frequently Asked Questions

What is the IUPAC name of (E)-3-hexoxy-2-methylprop-1-en-1-amine?
The IUPAC name of (E)-3-hexoxy-2-methylprop-1-en-1-amine (CID 144558606) is (E)-3-hexoxy-2-methylprop-1-en-1-amine.
What is the SMILES notation for (E)-3-hexoxy-2-methylprop-1-en-1-amine?
The canonical SMILES for (E)-3-hexoxy-2-methylprop-1-en-1-amine is CCCCCCOC/C(C)=C/N.
What is the InChIKey of (E)-3-hexoxy-2-methylprop-1-en-1-amine?
The InChIKey is KFNISOGMAKANGN-CSKARUKUSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-4-5-6-7-12-9-10(2)8-11/h8H,3-7,9,11H2,1-2H3/b10-8+.
What are the key properties of (E)-3-hexoxy-2-methylprop-1-en-1-amine?
(E)-3-hexoxy-2-methylprop-1-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-hexoxy-2-methylprop-1-en-1-amine is sourced from PubChem (CID 144558606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).