N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine

C9H19NO — CID 114470646

IUPACN-methyl-2-(3-methylbut-3-enoxy)propan-1-amine
SMILESC=C(C)CCOC(C)CNC
InChIInChI=1S/C9H19NO/c1-8(2)5-6-11-9(3)7-10-4/h9-10H,1,5-7H2,2-4H3
InChIKeyJLHMMQXQZLBDJE-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds6

About N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine

N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine (PubChem CID 114470646) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(3-methylbut-3-enoxy)propan-1-amine
PubChem CID114470646
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-methyl-2-(3-methylbut-3-enoxy)propan-1-amine
SMILESC=C(C)CCOC(C)CNC
InChIInChI=1S/C9H19NO/c1-8(2)5-6-11-9(3)7-10-4/h9-10H,1,5-7H2,2-4H3
InChIKeyJLHMMQXQZLBDJE-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.58
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

N-[2-(3-methylbut-3-enoxy)propyl]aniline
CID 114470882
methyl (2S)-2-(3-methylbut-3-enoxy)propanoate
CID 103338255
N,2,6-trimethylhept-6-en-1-amine
CID 114477309
N-methyl-2-(2-propoxyethoxy)propan-1-amine
CID 63685331
2-(3-chloro-2-methylprop-2-enoxy)-N-methylpropan-1-amine
CID 106439107
2-(3-methylbut-3-enoxy)-N-(2-methylpropyl)pentan-1-amine
CID 114470650
4-[2-(3-methylbut-3-enoxy)propyl]-2H-triazole
CID 153072522
ethyl 6-[1-(methylamino)propan-2-yloxy]hexanoate
CID 106939510
2-(2-cyclobutylethoxy)-N-methylpropan-1-amine
CID 106201858
2,2-dimethyl-6-[1-(methylamino)propan-2-yloxy]hexanenitrile
CID 106713109
2-(3-methylbut-3-enoxy)butanenitrile
CID 114470223
1-(2-methoxyethoxy)-3-[1-(methylamino)propan-2-yloxy]propan-2-ol
CID 106991208

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine?
The IUPAC name of N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine (CID 114470646) is N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine.
What is the SMILES notation for N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine?
The canonical SMILES for N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine is C=C(C)CCOC(C)CNC.
What is the InChIKey of N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine?
The InChIKey is JLHMMQXQZLBDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)5-6-11-9(3)7-10-4/h9-10H,1,5-7H2,2-4H3.
What are the key properties of N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine?
N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylbut-3-enoxy)propan-1-amine is sourced from PubChem (CID 114470646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).