N-ethyl-N-pent-4-enylpentan-1-amine

C12H25N — CID 154960176

IUPACN-ethyl-N-pent-4-enylpentan-1-amine
SMILESC=CCCCN(CC)CCCCC
InChIInChI=1S/C12H25N/c1-4-7-9-11-13(6-3)12-10-8-5-2/h4H,1,5-12H2,2-3H3
InChIKeyCIUPXFWALFWWMY-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.46
Rot. Bonds9

About N-ethyl-N-pent-4-enylpentan-1-amine

N-ethyl-N-pent-4-enylpentan-1-amine (PubChem CID 154960176) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-ethyl-N-pent-4-enylpentan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-pent-4-enylpentan-1-amine
PubChem CID154960176
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-ethyl-N-pent-4-enylpentan-1-amine
SMILESC=CCCCN(CC)CCCCC
InChIInChI=1S/C12H25N/c1-4-7-9-11-13(6-3)12-10-8-5-2/h4H,1,5-12H2,2-3H3
InChIKeyCIUPXFWALFWWMY-UHFFFAOYSA-N
XLogP3.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N,N-dibutylhept-6-en-1-amine
CID 126749828
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N-ethyl-N-propyldecan-1-amine
CID 56933807
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
hept-1-ene;polane
CID 173465915
N,N-bis(prop-2-enyl)undecan-1-amine
CID 10156078

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-pent-4-enylpentan-1-amine?
The IUPAC name of N-ethyl-N-pent-4-enylpentan-1-amine (CID 154960176) is N-ethyl-N-pent-4-enylpentan-1-amine.
What is the SMILES notation for N-ethyl-N-pent-4-enylpentan-1-amine?
The canonical SMILES for N-ethyl-N-pent-4-enylpentan-1-amine is C=CCCCN(CC)CCCCC.
What is the InChIKey of N-ethyl-N-pent-4-enylpentan-1-amine?
The InChIKey is CIUPXFWALFWWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-7-9-11-13(6-3)12-10-8-5-2/h4H,1,5-12H2,2-3H3.
What are the key properties of N-ethyl-N-pent-4-enylpentan-1-amine?
N-ethyl-N-pent-4-enylpentan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-pent-4-enylpentan-1-amine is sourced from PubChem (CID 154960176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).