N-(3-methylbut-2-enyl)-2-propyloxan-4-amine

C13H25NO — CID 103522688

IUPACN-(3-methylbut-2-enyl)-2-propyloxan-4-amine
SMILESCCCC1CC(NCC=C(C)C)CCO1
InChIInChI=1S/C13H25NO/c1-4-5-13-10-12(7-9-15-13)14-8-6-11(2)3/h6,12-14H,4-5,7-10H2,1-3H3
InChIKeyXHCFADZWSAQYFA-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds5

About N-(3-methylbut-2-enyl)-2-propyloxan-4-amine

N-(3-methylbut-2-enyl)-2-propyloxan-4-amine (PubChem CID 103522688) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-2-propyloxan-4-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-2-propyloxan-4-amine
PubChem CID103522688
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(3-methylbut-2-enyl)-2-propyloxan-4-amine
SMILESCCCC1CC(NCC=C(C)C)CCO1
InChIInChI=1S/C13H25NO/c1-4-5-13-10-12(7-9-15-13)14-8-6-11(2)3/h6,12-14H,4-5,7-10H2,1-3H3
InChIKeyXHCFADZWSAQYFA-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
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-(2-methylprop-2-enyl)-9-propan-2-yloxynonan-1-amine
CID 58451782
ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-2,6-dimethyloxan-4-amine
CID 177317217
2-[2-(3-Methylbut-2-enoxy)ethyl]piperidine
CID 62341606
1-(cyclohexen-1-yl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953341
1-(cyclohexen-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 63953342
1-(cyclohexen-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63953343
1-(cyclopenten-1-yl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 63953544
1-(cyclopenten-1-yl)-N-ethyl-3-(oxan-2-yl)propan-1-amine
CID 63953545
1-(cyclopenten-1-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 63953546
N-[2-(cyclohexen-1-yl)ethyl]-2-propyloxan-4-amine
CID 64100348
N-[2-(cyclohexen-1-yl)ethyl]-2-ethyloxan-4-amine
CID 64100545
N-[2-(cyclohexen-1-yl)ethyl]-2-methyloxan-4-amine
CID 64100546

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-2-propyloxan-4-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-2-propyloxan-4-amine (CID 103522688) is N-(3-methylbut-2-enyl)-2-propyloxan-4-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-2-propyloxan-4-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-2-propyloxan-4-amine is CCCC1CC(NCC=C(C)C)CCO1.
What is the InChIKey of N-(3-methylbut-2-enyl)-2-propyloxan-4-amine?
The InChIKey is XHCFADZWSAQYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-5-13-10-12(7-9-15-13)14-8-6-11(2)3/h6,12-14H,4-5,7-10H2,1-3H3.
What are the key properties of N-(3-methylbut-2-enyl)-2-propyloxan-4-amine?
N-(3-methylbut-2-enyl)-2-propyloxan-4-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-2-propyloxan-4-amine is sourced from PubChem (CID 103522688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).