(2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine

C10H18N2 — CID 145490187

IUPAC(2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine
SMILES[H]/N=C/C=C/C/C=C\CNCCC
InChIInChI=1S/C10H18N2/c1-2-9-12-10-7-5-3-4-6-8-11/h4-8,11-12H,2-3,9-10H2,1H3/b6-4+,7-5-,11-8+
InChIKeyHEEXNFUETGGLBJ-QUTYLOQESA-N
MW166.27 g/mol
LogP2.14
Rot. Bonds7

About (2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine

(2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine (PubChem CID 145490187) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine.

Molecular Properties

Compound Name(2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine
PubChem CID145490187
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine
SMILES[H]/N=C/C=C/C/C=C\CNCCC
InChIInChI=1S/C10H18N2/c1-2-9-12-10-7-5-3-4-6-8-11/h4-8,11-12H,2-3,9-10H2,1H3/b6-4+,7-5-,11-8+
InChIKeyHEEXNFUETGGLBJ-QUTYLOQESA-N
XLogP2.14
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine?
The IUPAC name of (2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine (CID 145490187) is (2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine.
What is the SMILES notation for (2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine?
The canonical SMILES for (2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine is [H]/N=C/C=C/C/C=C\CNCCC.
What is the InChIKey of (2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine?
The InChIKey is HEEXNFUETGGLBJ-QUTYLOQESA-N. The full InChI is InChI=1S/C10H18N2/c1-2-9-12-10-7-5-3-4-6-8-11/h4-8,11-12H,2-3,9-10H2,1H3/b6-4+,7-5-,11-8+.
What are the key properties of (2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine?
(2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine has a molecular weight of 166.27 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-7-imino-N-propylhepta-2,5-dien-1-amine is sourced from PubChem (CID 145490187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).