4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine

C10H21NO — CID 43146954

IUPAC4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine
SMILESC=CCNC(C)CC(C)(C)OC
InChIInChI=1S/C10H21NO/c1-6-7-11-9(2)8-10(3,4)12-5/h6,9,11H,1,7-8H2,2-5H3
InChIKeyOAXJPPJGUJKNGD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds6

About 4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine

4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine (PubChem CID 43146954) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine
PubChem CID43146954
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine
SMILESC=CCNC(C)CC(C)(C)OC
InChIInChI=1S/C10H21NO/c1-6-7-11-9(2)8-10(3,4)12-5/h6,9,11H,1,7-8H2,2-5H3
InChIKeyOAXJPPJGUJKNGD-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

3-hex-5-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 146434889
(2R)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
CID 29013888
(2S)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
CID 29013890
(2S)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013896
(2S)-N-[(2S)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013898
(2R)-N-[(2R)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013900
(2R)-N-[(2S)-butan-2-yl]-4-methoxy-4-methylpentan-2-amine
CID 29013902
(2S)-N-butyl-4-methoxy-4-methylpentan-2-amine
CID 29014050
(2R)-N-butyl-4-methoxy-4-methylpentan-2-amine
CID 29014052
4-methoxy-4-methyl-N-propylpentan-2-amine
CID 43146949
N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 43146951
(4-Methoxy-4-methylpentan-2-yl)(propan-2-yl)amine
CID 43146962

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine (CID 43146954) is 4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine is C=CCNC(C)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine?
The InChIKey is OAXJPPJGUJKNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-7-11-9(2)8-10(3,4)12-5/h6,9,11H,1,7-8H2,2-5H3.
What are the key properties of 4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine?
4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-prop-2-enylpentan-2-amine is sourced from PubChem (CID 43146954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).