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

C9H17NO — CID 117268486

IUPACN-methyl-3-(oxolan-2-yl)but-3-en-1-amine
SMILESC=C(CCNC)C1CCCO1
InChIInChI=1S/C9H17NO/c1-8(5-6-10-2)9-4-3-7-11-9/h9-10H,1,3-7H2,2H3
InChIKeyRLJYWSGMQIOEGZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds4

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

N-methyl-3-(oxolan-2-yl)but-3-en-1-amine (PubChem CID 117268486) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-methyl-3-(oxolan-2-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxolan-2-yl)but-3-en-1-amine
PubChem CID117268486
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-methyl-3-(oxolan-2-yl)but-3-en-1-amine
SMILESC=C(CCNC)C1CCCO1
InChIInChI=1S/C9H17NO/c1-8(5-6-10-2)9-4-3-7-11-9/h9-10H,1,3-7H2,2H3
InChIKeyRLJYWSGMQIOEGZ-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
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-2-[(5S)-5-methyl-4-methylidene-2-propyloxolan-2-yl]ethanamine
CID 89869633
N-methyl-2-(3-methylideneoxolan-2-yl)ethanamine
CID 163803154
N-methyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine
CID 66044346
N-ethyl-4-methylidene-1-(oxolan-2-yl)hexan-2-amine
CID 66044347
4-methylidene-1-(oxolan-2-yl)-N-propylhexan-2-amine
CID 66044348
N-ethyl-4-methyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 79178931
4-methyl-1-(oxolan-2-yl)-N-propylpent-4-en-2-amine
CID 79178932
N,4-dimethyl-1-(oxolan-2-yl)pent-4-en-2-amine
CID 79179355
N,3-dimethyl-1-(oxolan-2-yl)but-3-en-2-amine
CID 79189413
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104668698
5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine
CID 105003797
N-ethyl-5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine
CID 105003890

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxolan-2-yl)but-3-en-1-amine?
The IUPAC name of N-methyl-3-(oxolan-2-yl)but-3-en-1-amine (CID 117268486) is N-methyl-3-(oxolan-2-yl)but-3-en-1-amine.
What is the SMILES notation for N-methyl-3-(oxolan-2-yl)but-3-en-1-amine?
The canonical SMILES for N-methyl-3-(oxolan-2-yl)but-3-en-1-amine is C=C(CCNC)C1CCCO1.
What is the InChIKey of N-methyl-3-(oxolan-2-yl)but-3-en-1-amine?
The InChIKey is RLJYWSGMQIOEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(5-6-10-2)9-4-3-7-11-9/h9-10H,1,3-7H2,2H3.
What are the key properties of N-methyl-3-(oxolan-2-yl)but-3-en-1-amine?
N-methyl-3-(oxolan-2-yl)but-3-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(oxolan-2-yl)but-3-en-1-amine is sourced from PubChem (CID 117268486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).