(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine

C13H25N — CID 134570205

IUPAC(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine
SMILESC/C=C/C(=C/CC)CCCCNCC
InChIInChI=1S/C13H25N/c1-4-9-13(10-5-2)11-7-8-12-14-6-3/h4,9-10,14H,5-8,11-12H2,1-3H3/b9-4+,13-10-
InChIKeyXPEUXXCTHKIRQM-YABGYFGLSA-N
MW195.35 g/mol
LogP3.68
Rot. Bonds8

About (E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine

(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine (PubChem CID 134570205) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine
PubChem CID134570205
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine
SMILESC/C=C/C(=C/CC)CCCCNCC
InChIInChI=1S/C13H25N/c1-4-9-13(10-5-2)11-7-8-12-14-6-3/h4,9-10,14H,5-8,11-12H2,1-3H3/b9-4+,13-10-
InChIKeyXPEUXXCTHKIRQM-YABGYFGLSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(ethylamino)decanoic acid
CID 57308942
8-(ethylamino)octan-2-one
CID 170584616
(Z)-N-ethylundec-9-en-1-amine
CID 144898184
(Z)-5-[(E)-prop-1-enyl]dec-5-ene
CID 102402964
N,N'-diethylpentane-1,5-diamine
CID 15013244
(E,4E)-4-ethylidenedodec-2-ene
CID 144930771
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
CID 143198553
6-(ethylamino)-2-methylidenehexanoic acid
CID 22731125
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] N-propylcarbamate
CID 142103605
3-prop-1-enylundec-2-enal
CID 54027227
(E,4Z)-4-(chloromethylidene)non-2-ene
CID 134863990

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine?
The IUPAC name of (E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine (CID 134570205) is (E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine?
The canonical SMILES for (E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine is C/C=C/C(=C/CC)CCCCNCC.
What is the InChIKey of (E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine?
The InChIKey is XPEUXXCTHKIRQM-YABGYFGLSA-N. The full InChI is InChI=1S/C13H25N/c1-4-9-13(10-5-2)11-7-8-12-14-6-3/h4,9-10,14H,5-8,11-12H2,1-3H3/b9-4+,13-10-.
What are the key properties of (E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine?
(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine is sourced from PubChem (CID 134570205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).