N-ethyl-2-prop-2-enoxypentan-1-amine

C10H21NO — CID 83045873

IUPACN-ethyl-2-prop-2-enoxypentan-1-amine
SMILESC=CCOC(CCC)CNCC
InChIInChI=1S/C10H21NO/c1-4-7-10(9-11-6-3)12-8-5-2/h5,10-11H,2,4,6-9H2,1,3H3
InChIKeyTZBFTFMCFXCAMT-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds8

About N-ethyl-2-prop-2-enoxypentan-1-amine

N-ethyl-2-prop-2-enoxypentan-1-amine (PubChem CID 83045873) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-ethyl-2-prop-2-enoxypentan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-prop-2-enoxypentan-1-amine
PubChem CID83045873
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-ethyl-2-prop-2-enoxypentan-1-amine
SMILESC=CCOC(CCC)CNCC
InChIInChI=1S/C10H21NO/c1-4-7-10(9-11-6-3)12-8-5-2/h5,10-11H,2,4,6-9H2,1,3H3
InChIKeyTZBFTFMCFXCAMT-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-prop-2-enoxypentan-1-amine?
The IUPAC name of N-ethyl-2-prop-2-enoxypentan-1-amine (CID 83045873) is N-ethyl-2-prop-2-enoxypentan-1-amine.
What is the SMILES notation for N-ethyl-2-prop-2-enoxypentan-1-amine?
The canonical SMILES for N-ethyl-2-prop-2-enoxypentan-1-amine is C=CCOC(CCC)CNCC.
What is the InChIKey of N-ethyl-2-prop-2-enoxypentan-1-amine?
The InChIKey is TZBFTFMCFXCAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-7-10(9-11-6-3)12-8-5-2/h5,10-11H,2,4,6-9H2,1,3H3.
What are the key properties of N-ethyl-2-prop-2-enoxypentan-1-amine?
N-ethyl-2-prop-2-enoxypentan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-prop-2-enoxypentan-1-amine is sourced from PubChem (CID 83045873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).