N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane

C14H29N — CID 178010353

IUPACN-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane
SMILESC=C(NC/C=C/C)C(CC)CCC.CC
InChIInChI=1S/C12H23N.C2H6/c1-5-8-10-13-11(4)12(7-3)9-6-2;1-2/h5,8,12-13H,4,6-7,9-10H2,1-3H3;1-2H3/b8-5+;
InChIKeyRARLTHWPJQEDDZ-HAAWTFQLSA-N
MW211.39 g/mol
LogP4.52
Rot. Bonds7

About N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane

N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane (PubChem CID 178010353) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane
PubChem CID178010353
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane
SMILESC=C(NC/C=C/C)C(CC)CCC.CC
InChIInChI=1S/C12H23N.C2H6/c1-5-8-10-13-11(4)12(7-3)9-6-2;1-2/h5,8,12-13H,4,6-7,9-10H2,1-3H3;1-2H3/b8-5+;
InChIKeyRARLTHWPJQEDDZ-HAAWTFQLSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-but-2-enyl]-2-ethylpentanamide
CID 178010270
(E)-N-prop-1-en-2-ylbut-2-en-1-amine
CID 148701654
4-methylidene-5-propyloct-2-ene
CID 90714762
(Z)-2-propylhex-4-enoic acid
CID 59965143
ethane;(6Z)-2-methyl-3-propan-2-yl-4-propylocta-2,6-diene;vanadium
CID 142844874
(4E)-N-[(Z)-but-2-enyl]-4-ethyl-3-methyl-5-(4-methylphenyl)hexa-1,4-dien-2-amine
CID 142494530
(Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine
CID 130217220
N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide;ethane
CID 178010245
2-ethyl-N-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]pentanamide
CID 154930180
ethane;(E)-N-methylbut-2-en-1-amine
CID 157191790
N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane
CID 178010298
N-methyl-3-propylhept-1-en-2-amine
CID 143002788

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane (CID 178010353) is N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane is C=C(NC/C=C/C)C(CC)CCC.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane?
The InChIKey is RARLTHWPJQEDDZ-HAAWTFQLSA-N. The full InChI is InChI=1S/C12H23N.C2H6/c1-5-8-10-13-11(4)12(7-3)9-6-2;1-2/h5,8,12-13H,4,6-7,9-10H2,1-3H3;1-2H3/b8-5+;.
What are the key properties of N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane?
N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane has a molecular weight of 211.39 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane is sourced from PubChem (CID 178010353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).