2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine

C13H27NO — CID 103074542

IUPAC2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCCCC(C)C
InChIInChI=1S/C13H27NO/c1-5-8-14-10-13(4)11-15-9-6-7-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyOYXMWMMUASYETK-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.99
Rot. Bonds10

About 2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine

2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine (PubChem CID 103074542) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine
PubChem CID103074542
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)COCCCC(C)C
InChIInChI=1S/C13H27NO/c1-5-8-14-10-13(4)11-15-9-6-7-12(2)3/h12,14H,4-11H2,1-3H3
InChIKeyOYXMWMMUASYETK-UHFFFAOYSA-N
XLogP2.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.99
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

(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 2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine (CID 103074542) is 2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)COCCCC(C)C.
What is the InChIKey of 2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine?
The InChIKey is OYXMWMMUASYETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-8-14-10-13(4)11-15-9-6-7-12(2)3/h12,14H,4-11H2,1-3H3.
What are the key properties of 2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine?
2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentoxymethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 103074542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).