4-pent-4-enoxy-N-propylpentan-1-amine

C13H27NO — CID 79114922

IUPAC4-pent-4-enoxy-N-propylpentan-1-amine
SMILESC=CCCCOC(C)CCCNCCC
InChIInChI=1S/C13H27NO/c1-4-6-7-12-15-13(3)9-8-11-14-10-5-2/h4,13-14H,1,5-12H2,2-3H3
InChIKeyQGSYOKSUUNVEJG-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.14
Rot. Bonds11

About 4-pent-4-enoxy-N-propylpentan-1-amine

4-pent-4-enoxy-N-propylpentan-1-amine (PubChem CID 79114922) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-pent-4-enoxy-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-pent-4-enoxy-N-propylpentan-1-amine
PubChem CID79114922
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-pent-4-enoxy-N-propylpentan-1-amine
SMILESC=CCCCOC(C)CCCNCCC
InChIInChI=1S/C13H27NO/c1-4-6-7-12-15-13(3)9-8-11-14-10-5-2/h4,13-14H,1,5-12H2,2-3H3
InChIKeyQGSYOKSUUNVEJG-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-propylpentan-1-amine
CID 62446191
4-(3-methylbutoxy)-N-propylpentan-1-amine
CID 62445161
4-(2-butoxyethoxy)-N-propylpentan-1-amine
CID 55078093
3-butan-2-yloxy-N-propylpropan-1-amine
CID 62453797
N-propylnon-8-en-1-amine
CID 107010151
N-ethyl-4-prop-2-enoxypentan-1-amine
CID 62442488
propane-1,3-diol;3-tetradecan-2-yloxypropan-1-ol;tetradec-1-ene
CID 161072377
N-(2-octan-2-yloxyethyl)pentan-1-amine
CID 55194379
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114442
4-octan-2-yloxy-N-propylpentan-1-amine
CID 55078052
4-(1-ethoxypropan-2-yloxy)-N-propylpentan-1-amine
CID 103490666
1,1-dimethoxy-N-propylhept-6-en-2-amine
CID 79493073

Frequently Asked Questions

What is the IUPAC name of 4-pent-4-enoxy-N-propylpentan-1-amine?
The IUPAC name of 4-pent-4-enoxy-N-propylpentan-1-amine (CID 79114922) is 4-pent-4-enoxy-N-propylpentan-1-amine.
What is the SMILES notation for 4-pent-4-enoxy-N-propylpentan-1-amine?
The canonical SMILES for 4-pent-4-enoxy-N-propylpentan-1-amine is C=CCCCOC(C)CCCNCCC.
What is the InChIKey of 4-pent-4-enoxy-N-propylpentan-1-amine?
The InChIKey is QGSYOKSUUNVEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-6-7-12-15-13(3)9-8-11-14-10-5-2/h4,13-14H,1,5-12H2,2-3H3.
What are the key properties of 4-pent-4-enoxy-N-propylpentan-1-amine?
4-pent-4-enoxy-N-propylpentan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pent-4-enoxy-N-propylpentan-1-amine is sourced from PubChem (CID 79114922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).