N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine

C9H19NO — CID 105161117

IUPACN-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
SMILESC=CC(COC(C)(C)C)NC
InChIInChI=1S/C9H19NO/c1-6-8(10-5)7-11-9(2,3)4/h6,8,10H,1,7H2,2-5H3
InChIKeyGXHKKPRWXCWJKN-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.58
Rot. Bonds4

About N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine

N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine (PubChem CID 105161117) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine.

Molecular Properties

Compound NameN-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
PubChem CID105161117
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine
SMILESC=CC(COC(C)(C)C)NC
InChIInChI=1S/C9H19NO/c1-6-8(10-5)7-11-9(2,3)4/h6,8,10H,1,7H2,2-5H3
InChIKeyGXHKKPRWXCWJKN-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-methyl-1-[(2-methylpropan-2-yl)oxy]pent-4-en-2-amine
CID 105107974
(2R)-2-N-methylbut-3-ene-1,2-diamine
CID 139310279
N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 62038724
2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 23363391
(2S)-2-(methylamino)-3-[(2-methylpropan-2-yl)oxy]propanamide
CID 89152720
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 10443257
N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 105161288
2,3-bis[(2-methylpropan-2-yl)oxy]propyl prop-2-enoate
CID 167170531
N-methylnon-1-en-3-amine
CID 91313419
2-methyl-N-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]propan-2-amine
CID 72592893
4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol
CID 123974512
(E)-2,2,6-trimethyl-7-[(2-methylpropan-2-yl)oxy]hept-3-ene
CID 89109451

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
The IUPAC name of N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine (CID 105161117) is N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine.
What is the SMILES notation for N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
The canonical SMILES for N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine is C=CC(COC(C)(C)C)NC.
What is the InChIKey of N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
The InChIKey is GXHKKPRWXCWJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-8(10-5)7-11-9(2,3)4/h6,8,10H,1,7H2,2-5H3.
What are the key properties of N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine?
N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(2-methylpropan-2-yl)oxy]but-3-en-2-amine is sourced from PubChem (CID 105161117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).