2-(heptoxymethyl)prop-2-en-1-amine

C11H23NO — CID 103074513

IUPAC2-(heptoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCCCCCC
InChIInChI=1S/C11H23NO/c1-3-4-5-6-7-8-13-10-11(2)9-12/h2-10,12H2,1H3
InChIKeyKOLFZFUNNFPJEG-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.49
Rot. Bonds9

About 2-(heptoxymethyl)prop-2-en-1-amine

2-(heptoxymethyl)prop-2-en-1-amine (PubChem CID 103074513) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(heptoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(heptoxymethyl)prop-2-en-1-amine
PubChem CID103074513
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(heptoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCCCCCCC
InChIInChI=1S/C11H23NO/c1-3-4-5-6-7-8-13-10-11(2)9-12/h2-10,12H2,1H3
InChIKeyKOLFZFUNNFPJEG-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.49
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

1-[2-(heptoxymethyl)prop-2-enoxy]heptane
CID 138543680
1-(2-methylprop-2-enoxy)dodecane
CID 156690078
N-ethyl-2-(heptoxymethyl)prop-2-en-1-amine
CID 103074509
N-tert-butyl-2-(octoxymethyl)prop-2-en-1-amine
CID 103074561
2-tridecoxyacetamide
CID 54483018
2-(3-methylbut-3-enoxymethyl)prop-2-en-1-amine
CID 103075155
heptadecoxymethanamine
CID 134173154
trifluoro(3-heptoxyprop-1-en-2-yl)boranuide
CID 106746672
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766

Frequently Asked Questions

What is the IUPAC name of 2-(heptoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(heptoxymethyl)prop-2-en-1-amine (CID 103074513) is 2-(heptoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(heptoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(heptoxymethyl)prop-2-en-1-amine is C=C(CN)COCCCCCCC.
What is the InChIKey of 2-(heptoxymethyl)prop-2-en-1-amine?
The InChIKey is KOLFZFUNNFPJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-4-5-6-7-8-13-10-11(2)9-12/h2-10,12H2,1H3.
What are the key properties of 2-(heptoxymethyl)prop-2-en-1-amine?
2-(heptoxymethyl)prop-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(heptoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).