2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine

C11H23NO — CID 170262572

IUPAC2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine
SMILESC=C(C)OC(C)NCC(C)C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)10(5)7-12-11(6)13-9(3)4/h8,10-12H,3,7H2,1-2,4-6H3
InChIKeyZMQGKPGKGLUQSZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.76
Rot. Bonds6

About 2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine

2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine (PubChem CID 170262572) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine
PubChem CID170262572
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine
SMILESC=C(C)OC(C)NCC(C)C(C)C
InChIInChI=1S/C11H23NO/c1-8(2)10(5)7-12-11(6)13-9(3)4/h8,10-12H,3,7H2,1-2,4-6H3
InChIKeyZMQGKPGKGLUQSZ-UHFFFAOYSA-N
XLogP2.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 24848525
(2S)-N-ethyl-3-methylbut-3-en-2-amine
CID 89198318
N-(2-chloroprop-2-enyl)-2,3-dimethylbutan-1-amine
CID 64568928
(2R)-2-N-(2,3-dimethylbutyl)propane-1,2-diamine
CID 104868008
2-[1-(2-methylprop-2-enoyloxy)ethylamino]acetic acid
CID 174779990
4,5,6,7-tetramethyloct-1-en-2-amine
CID 155010763
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
1-[[2-(1-iodoethyl)-3-methylbutyl]amino]ethyl 2,2,4,5-tetramethylhexanoate
CID 167096368
2,3,5,7,8-pentamethylnon-1-ene
CID 177053825
butan-2-ol;2-prop-1-en-2-yloxybutane
CID 159582124
2-(2,3-dimethylbutylamino)-N-ethylpropanamide
CID 64571125
N-carbamoyl-2-(2,3-dimethylbutylamino)propanamide
CID 64569124

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine (CID 170262572) is 2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine is C=C(C)OC(C)NCC(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine?
The InChIKey is ZMQGKPGKGLUQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)10(5)7-12-11(6)13-9(3)4/h8,10-12H,3,7H2,1-2,4-6H3.
What are the key properties of 2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine?
2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(1-prop-1-en-2-yloxyethyl)butan-1-amine is sourced from PubChem (CID 170262572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).