3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine

C11H21NO — CID 114472115

IUPAC3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
SMILESC=C(C)CCNCCC1CCCO1
InChIInChI=1S/C11H21NO/c1-10(2)5-7-12-8-6-11-4-3-9-13-11/h11-12H,1,3-9H2,2H3
InChIKeyMYRMBUFBOLYKCZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds6

About 3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine

3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine (PubChem CID 114472115) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
PubChem CID114472115
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
SMILESC=C(C)CCNCCC1CCCO1
InChIInChI=1S/C11H21NO/c1-10(2)5-7-12-8-6-11-4-3-9-13-11/h11-12H,1,3-9H2,2H3
InChIKeyMYRMBUFBOLYKCZ-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-yl)-N-(2-propoxyethyl)ethanamine
CID 106451738
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-2-en-1-amine
CID 106546965
1-(2-methylprop-2-enyl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 91661489
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
5-[2-(oxolan-2-yl)ethylamino]pentanamide
CID 106237094
N-[2-(oxolan-2-yl)ethyl]prop-2-yn-1-amine
CID 62141075
N',N'-dimethyl-N-[2-(oxolan-2-yl)ethyl]propane-1,3-diamine
CID 65164090
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
N-[2-(oxolan-2-yl)ethyl]but-2-yn-1-amine
CID 62311153
2-methyl-5-(oxolan-2-yl)pent-1-en-3-one
CID 115780995
N-methyl-2-[2-(oxolan-2-yl)ethylamino]acetamide
CID 61039623
3-[[2-(oxolan-2-yl)ethylamino]methyl]cyclobutan-1-ol
CID 66004196

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
The IUPAC name of 3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine (CID 114472115) is 3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
The canonical SMILES for 3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine is C=C(C)CCNCCC1CCCO1.
What is the InChIKey of 3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
The InChIKey is MYRMBUFBOLYKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2)5-7-12-8-6-11-4-3-9-13-11/h11-12H,1,3-9H2,2H3.
What are the key properties of 3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine?
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine is sourced from PubChem (CID 114472115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).