N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine

C12H25NO — CID 103074538

IUPACN-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCCCC(C)C
InChIInChI=1S/C12H25NO/c1-5-13-9-12(4)10-14-8-6-7-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyBQPUKPDTKRFMSL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.60
Rot. Bonds9

About N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine

N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine (PubChem CID 103074538) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
PubChem CID103074538
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCCCC(C)C
InChIInChI=1S/C12H25NO/c1-5-13-9-12(4)10-14-8-6-7-11(2)3/h11,13H,4-10H2,1-3H3
InChIKeyBQPUKPDTKRFMSL-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.60
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'}

Analyze N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-(2-methylprop-2-enoxymethyl)piperidine
CID 26190613
(3S)-3-(2-methylprop-2-enoxymethyl)piperidine
CID 26190616
2-Methyl-2-propenyl 3-piperidinylmethyl ether
CID 45075310
3-(2-Methylprop-2-enoxymethyl)azepane
CID 84050654
2-(cyclopentyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074329
2-(cyclopentyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074333
2-(methoxymethyl)-N-propylprop-2-en-1-amine
CID 103074360
2-(ethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074363
2-(ethoxymethyl)-N-propylprop-2-en-1-amine
CID 103074367
N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074382
N-[2-(3-methylbutoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074383
2-(3-methylbutoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074384

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine (CID 103074538) is N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine is C=C(CNCC)COCCCC(C)C.
What is the InChIKey of N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The InChIKey is BQPUKPDTKRFMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-13-9-12(4)10-14-8-6-7-11(2)3/h11,13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).