(E)-2-ethyl-4-propylhept-1-en-1-amine

C12H25N — CID 89003253

IUPAC(E)-2-ethyl-4-propylhept-1-en-1-amine
SMILESCCCC(CCC)C/C(=C/N)CC
InChIInChI=1S/C12H25N/c1-4-7-12(8-5-2)9-11(6-3)10-13/h10,12H,4-9,13H2,1-3H3/b11-10+
InChIKeyTXUCYACTLCLWSN-ZHACJKMWSA-N
MW183.34 g/mol
LogP3.85
Rot. Bonds7

About (E)-2-ethyl-4-propylhept-1-en-1-amine

(E)-2-ethyl-4-propylhept-1-en-1-amine (PubChem CID 89003253) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is (E)-2-ethyl-4-propylhept-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethyl-4-propylhept-1-en-1-amine
PubChem CID89003253
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name(E)-2-ethyl-4-propylhept-1-en-1-amine
SMILESCCCC(CCC)C/C(=C/N)CC
InChIInChI=1S/C12H25N/c1-4-7-12(8-5-2)9-11(6-3)10-13/h10,12H,4-9,13H2,1-3H3/b11-10+
InChIKeyTXUCYACTLCLWSN-ZHACJKMWSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-4-propylhept-1-en-1-amine?
The IUPAC name of (E)-2-ethyl-4-propylhept-1-en-1-amine (CID 89003253) is (E)-2-ethyl-4-propylhept-1-en-1-amine.
What is the SMILES notation for (E)-2-ethyl-4-propylhept-1-en-1-amine?
The canonical SMILES for (E)-2-ethyl-4-propylhept-1-en-1-amine is CCCC(CCC)C/C(=C/N)CC.
What is the InChIKey of (E)-2-ethyl-4-propylhept-1-en-1-amine?
The InChIKey is TXUCYACTLCLWSN-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H25N/c1-4-7-12(8-5-2)9-11(6-3)10-13/h10,12H,4-9,13H2,1-3H3/b11-10+.
What are the key properties of (E)-2-ethyl-4-propylhept-1-en-1-amine?
(E)-2-ethyl-4-propylhept-1-en-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-4-propylhept-1-en-1-amine is sourced from PubChem (CID 89003253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).