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

C13H25NO — CID 103987439

IUPAC4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CC1CCOC1
InChIInChI=1S/C13H25NO/c1-4-6-14-13(8-11(2)3)9-12-5-7-15-10-12/h8,12-14H,4-7,9-10H2,1-3H3
InChIKeyOTDQOFOKWRRFCT-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds6

About 4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine

4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine (PubChem CID 103987439) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine
PubChem CID103987439
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)CC1CCOC1
InChIInChI=1S/C13H25NO/c1-4-6-14-13(8-11(2)3)9-12-5-7-15-10-12/h8,12-14H,4-7,9-10H2,1-3H3
InChIKeyOTDQOFOKWRRFCT-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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

4-ethyl-3-(2-methoxyethyl)-N-methylhex-4-en-1-amine
CID 89972891
4-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridin-3-amine
CID 163511528
2-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridine
CID 173551440
(2S)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259175
(2R)-6-methyl-N-[3-[(3R)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259177
(2S)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259179
(2R)-6-methyl-N-[3-[(3S)-oxolan-3-yl]propyl]hept-5-en-2-amine
CID 29259181
N-(cyclohex-3-en-1-ylmethyl)-1-(oxolan-2-yl)ethanamine
CID 43208618
(1,5-Dimethyl-4-hexen-1-yl)[3-(tetrahydro-3-furanyl)propyl]amine
CID 45930841
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]propan-1-amine
CID 62077835
N-[cyclopenten-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62077856
N-[cyclohexen-1-yl(oxolan-3-yl)methyl]ethanamine
CID 62078856

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine?
The IUPAC name of 4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine (CID 103987439) is 4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine.
What is the SMILES notation for 4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine?
The canonical SMILES for 4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine is CCCNC(C=C(C)C)CC1CCOC1.
What is the InChIKey of 4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine?
The InChIKey is OTDQOFOKWRRFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-6-14-13(8-11(2)3)9-12-5-7-15-10-12/h8,12-14H,4-7,9-10H2,1-3H3.
What are the key properties of 4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine?
4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(oxolan-3-yl)-N-propylpent-3-en-2-amine is sourced from PubChem (CID 103987439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).