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

C9H17NO — CID 117268207

IUPACN-methyl-3-(oxolan-3-yl)but-3-en-1-amine
SMILESC=C(CCNC)C1CCOC1
InChIInChI=1S/C9H17NO/c1-8(3-5-10-2)9-4-6-11-7-9/h9-10H,1,3-7H2,2H3
InChIKeySXSKIEXLPHKPIF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.19
Rot. Bonds4

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

N-methyl-3-(oxolan-3-yl)but-3-en-1-amine (PubChem CID 117268207) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-methyl-3-(oxolan-3-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(oxolan-3-yl)but-3-en-1-amine
PubChem CID117268207
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-methyl-3-(oxolan-3-yl)but-3-en-1-amine
SMILESC=C(CCNC)C1CCOC1
InChIInChI=1S/C9H17NO/c1-8(3-5-10-2)9-4-6-11-7-9/h9-10H,1,3-7H2,2H3
InChIKeySXSKIEXLPHKPIF-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(oxolan-3-yl)but-3-en-1-amine?
The IUPAC name of N-methyl-3-(oxolan-3-yl)but-3-en-1-amine (CID 117268207) is N-methyl-3-(oxolan-3-yl)but-3-en-1-amine.
What is the SMILES notation for N-methyl-3-(oxolan-3-yl)but-3-en-1-amine?
The canonical SMILES for N-methyl-3-(oxolan-3-yl)but-3-en-1-amine is C=C(CCNC)C1CCOC1.
What is the InChIKey of N-methyl-3-(oxolan-3-yl)but-3-en-1-amine?
The InChIKey is SXSKIEXLPHKPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(3-5-10-2)9-4-6-11-7-9/h9-10H,1,3-7H2,2H3.
What are the key properties of N-methyl-3-(oxolan-3-yl)but-3-en-1-amine?
N-methyl-3-(oxolan-3-yl)but-3-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.19, 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-3-yl)but-3-en-1-amine is sourced from PubChem (CID 117268207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).