N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine

C10H21NO — CID 103075205

IUPACN-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COC(C)CCC
InChIInChI=1S/C10H21NO/c1-5-6-10(3)12-8-9(2)7-11-4/h10-11H,2,5-8H2,1,3-4H3
InChIKeyFWRATQSHHJZPNK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

About N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine

N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine (PubChem CID 103075205) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine
PubChem CID103075205
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COC(C)CCC
InChIInChI=1S/C10H21NO/c1-5-6-10(3)12-8-9(2)7-11-4/h10-11H,2,5-8H2,1,3-4H3
InChIKeyFWRATQSHHJZPNK-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

2-(1-ethoxypropan-2-yloxymethyl)-N-methylprop-2-en-1-amine
CID 103489370
2-(pentan-2-yloxymethyl)prop-2-en-1-amine
CID 103075204
2-(butan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074654
N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
CID 103074544
2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074506
3-[(2E)-2-ethylidenepentoxy]-N-methylbutan-1-amine
CID 146300663
2-(4-methylpentan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074479
2-[(2S)-pentan-2-yl]oxyethanol
CID 89167429
2-(butan-2-yloxymethyl)-3-chloroprop-1-ene
CID 103066077
N-ethyl-2-(2-methylpentoxymethyl)prop-2-en-1-amine
CID 103284475
N,3-dimethyl-1-pentan-2-yloxybutan-2-amine
CID 102981288
N-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl]-2-pentan-2-yloxyacetamide
CID 156860402

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine (CID 103075205) is N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine is C=C(CNC)COC(C)CCC.
What is the InChIKey of N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine?
The InChIKey is FWRATQSHHJZPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-10(3)12-8-9(2)7-11-4/h10-11H,2,5-8H2,1,3-4H3.
What are the key properties of N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine?
N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103075205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).