2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine

C11H21NO — CID 163416832

IUPAC2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine
SMILESC=C=CCOCC(CC)CNCC
InChIInChI=1S/C11H21NO/c1-4-7-8-13-10-11(5-2)9-12-6-3/h7,11-12H,1,5-6,8-10H2,2-3H3
InChIKeyAFCUXKSJQJCZJX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.98
Rot. Bonds8

About 2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine

2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine (PubChem CID 163416832) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine
PubChem CID163416832
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine
SMILESC=C=CCOCC(CC)CNCC
InChIInChI=1S/C11H21NO/c1-4-7-8-13-10-11(5-2)9-12-6-3/h7,11-12H,1,5-6,8-10H2,2-3H3
InChIKeyAFCUXKSJQJCZJX-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-prop-2-enoxy-N-propylpropan-1-amine
CID 62442457
N,3-dimethyl-3-prop-2-enoxybutan-1-amine
CID 142450320
N-methyl-2-(prop-2-enoxymethyl)butan-1-amine
CID 158326199
3-(2-Methylprop-2-enoxymethyl)pyrrolidine
CID 56830003
4-prop-2-enoxy-N-propylbutan-1-amine
CID 62442081
N-(2-methylpropyl)-4-prop-2-enoxybutan-1-amine
CID 62442262
N-ethyl-4-prop-2-enoxybutan-1-amine
CID 62442444
N-ethyl-3-prop-2-enoxypropan-1-amine
CID 62442471
2-methyl-N-(3-prop-2-enoxypropyl)propan-1-amine
CID 62442637
3-methyl-N-(2-prop-2-enoxyethyl)butan-1-amine
CID 62572069
N-(3-but-2-enoxypropyl)-2-methylpropan-1-amine
CID 76943461
4-but-2-enoxy-N-(2-methylpropyl)butan-1-amine
CID 76943518

Frequently Asked Questions

What is the IUPAC name of 2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine?
The IUPAC name of 2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine (CID 163416832) is 2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine is C=C=CCOCC(CC)CNCC.
What is the InChIKey of 2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine?
The InChIKey is AFCUXKSJQJCZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-8-13-10-11(5-2)9-12-6-3/h7,11-12H,1,5-6,8-10H2,2-3H3.
What are the key properties of 2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine?
2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 163416832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).