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

C10H19NO — CID 104531303

IUPACN-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine
SMILESC=CC(C)NC(C)C1CCCO1
InChIInChI=1S/C10H19NO/c1-4-8(2)11-9(3)10-6-5-7-12-10/h4,8-11H,1,5-7H2,2-3H3
InChIKeyWITLWKSVZHPKFX-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

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

N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine (PubChem CID 104531303) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine
PubChem CID104531303
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine
SMILESC=CC(C)NC(C)C1CCCO1
InChIInChI=1S/C10H19NO/c1-4-8(2)11-9(3)10-6-5-7-12-10/h4,8-11H,1,5-7H2,2-3H3
InChIKeyWITLWKSVZHPKFX-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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

1-(oxolan-2-yl)-N-[1-(oxolan-2-yl)ethyl]propan-2-amine
CID 115709344
1-(oxolan-2-yl)ethylthiourea
CID 43533883
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346
1-(4-ethylphenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 43310101
N-cyclopentyl-2-[1-(oxolan-2-yl)ethylamino]propanamide
CID 43329481
3-methyl-N-[1-(oxolan-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43108572
3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 112681915
N-[1-(oxolan-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130791757
N'-[1-(oxolan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441277
4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine
CID 79725148
N-[1-(oxolan-2-yl)ethyl]cyclopropanecarboxamide
CID 17330465
1-(2-fluorophenyl)-N-[1-(oxolan-2-yl)ethyl]propan-1-amine
CID 112631436

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine?
The IUPAC name of N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine (CID 104531303) is N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine.
What is the SMILES notation for N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine?
The canonical SMILES for N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine is C=CC(C)NC(C)C1CCCO1.
What is the InChIKey of N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine?
The InChIKey is WITLWKSVZHPKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8(2)11-9(3)10-6-5-7-12-10/h4,8-11H,1,5-7H2,2-3H3.
What are the key properties of N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine?
N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine is sourced from PubChem (CID 104531303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).