N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine

C10H21NO — CID 103074388

IUPACN-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCCC(C)C
InChIInChI=1S/C10H21NO/c1-9(2)5-6-12-8-10(3)7-11-4/h9,11H,3,5-8H2,1-2,4H3
InChIKeyKYNUYDZZCDUIQF-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.82
Rot. Bonds7

About N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine

N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine (PubChem CID 103074388) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
PubChem CID103074388
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCCC(C)C
InChIInChI=1S/C10H21NO/c1-9(2)5-6-12-8-10(3)7-11-4/h9,11H,3,5-8H2,1-2,4H3
InChIKeyKYNUYDZZCDUIQF-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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

N-methyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075047
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
N-methyl-2-(prop-2-enoxymethyl)butan-1-amine
CID 158326199
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine
CID 163416832
N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074315
2-(prop-2-enoxymethyl)-N-propylprop-2-en-1-amine
CID 103074319
N-methyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074321
2-(methoxymethyl)-N-propylprop-2-en-1-amine
CID 103074360
2-(methoxymethyl)-N-methylprop-2-en-1-amine
CID 103074362
2-(ethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103074363

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine (CID 103074388) is N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine is C=C(CNC)COCCC(C)C.
What is the InChIKey of N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine?
The InChIKey is KYNUYDZZCDUIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)5-6-12-8-10(3)7-11-4/h9,11H,3,5-8H2,1-2,4H3.
What are the key properties of N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine?
N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).