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

C11H21NO — CID 103074682

IUPAC2-(cycloheptyloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC1CCCCCC1
InChIInChI=1S/C11H21NO/c1-10(8-12)9-13-11-6-4-2-3-5-7-11/h11H,1-9,12H2
InChIKeyYRALVHMBSPTUAM-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds4

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

2-(cycloheptyloxymethyl)prop-2-en-1-amine (PubChem CID 103074682) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(cycloheptyloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(cycloheptyloxymethyl)prop-2-en-1-amine
PubChem CID103074682
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(cycloheptyloxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COC1CCCCCC1
InChIInChI=1S/C11H21NO/c1-10(8-12)9-13-11-6-4-2-3-5-7-11/h11H,1-9,12H2
InChIKeyYRALVHMBSPTUAM-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.24
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

(E)-2-(cyclooctyloxymethyl)-3-fluoroprop-2-en-1-amine
CID 166672703
2-(Cyclohexyloxymethyl)prop-2-en-1-amine
CID 103074327
2-(Octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074506
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-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074677
2-(cycloheptyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074681
2-(cycloheptyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074683

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptyloxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(cycloheptyloxymethyl)prop-2-en-1-amine (CID 103074682) is 2-(cycloheptyloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(cycloheptyloxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(cycloheptyloxymethyl)prop-2-en-1-amine is C=C(CN)COC1CCCCCC1.
What is the InChIKey of 2-(cycloheptyloxymethyl)prop-2-en-1-amine?
The InChIKey is YRALVHMBSPTUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(8-12)9-13-11-6-4-2-3-5-7-11/h11H,1-9,12H2.
What are the key properties of 2-(cycloheptyloxymethyl)prop-2-en-1-amine?
2-(cycloheptyloxymethyl)prop-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptyloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).