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

C11H23NO — CID 103074544

IUPACN-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCCCC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)6-5-7-13-9-11(3)8-12-4/h10,12H,3,5-9H2,1-2,4H3
InChIKeyBKIWTXPXHCWUNO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds8

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

N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine (PubChem CID 103074544) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
PubChem CID103074544
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCCCC(C)C
InChIInChI=1S/C11H23NO/c1-10(2)6-5-7-13-9-11(3)8-12-4/h10,12H,3,5-9H2,1-2,4H3
InChIKeyBKIWTXPXHCWUNO-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
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

trifluoro-[3-(4-methylpentoxy)prop-1-en-2-yl]boranuide
CID 106746682
2-(butoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074642
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
N-methyl-2-(pentan-2-yloxymethyl)prop-2-en-1-amine
CID 103075205
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
N-(2-aminoethyl)-2-(4-methylpentoxy)acetamide
CID 61206763
3,3-dimethyl-1-[2-(4-methylpentoxy)ethoxy]butan-2-one
CID 169040434
2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propanamide
CID 138727288
N-ethyl-2-(heptoxymethyl)prop-2-en-1-amine
CID 103074509
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine (CID 103074544) is N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine is C=C(CNC)COCCCC(C)C.
What is the InChIKey of N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
The InChIKey is BKIWTXPXHCWUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)6-5-7-13-9-11(3)8-12-4/h10,12H,3,5-9H2,1-2,4H3.
What are the key properties of N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine?
N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylpentoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).