2-ethyl-4-iminopentan-1-amine

C7H16N2 — CID 54527559

IUPAC2-ethyl-4-iminopentan-1-amine
SMILES[H]/N=C(\C)CC(CC)CN
InChIInChI=1S/C7H16N2/c1-3-7(5-8)4-6(2)9/h7,9H,3-5,8H2,1-2H3/b9-6+
InChIKeyYUENUNBOOCCSPL-RMKNXTFCSA-N
MW128.22 g/mol
LogP1.40
Rot. Bonds4

About 2-ethyl-4-iminopentan-1-amine

2-ethyl-4-iminopentan-1-amine (PubChem CID 54527559) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-ethyl-4-iminopentan-1-amine.

Molecular Properties

Compound Name2-ethyl-4-iminopentan-1-amine
PubChem CID54527559
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name2-ethyl-4-iminopentan-1-amine
SMILES[H]/N=C(\C)CC(CC)CN
InChIInChI=1S/C7H16N2/c1-3-7(5-8)4-6(2)9/h7,9H,3-5,8H2,1-2H3/b9-6+
InChIKeyYUENUNBOOCCSPL-RMKNXTFCSA-N
XLogP1.40
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-iminopentan-1-amine?
The IUPAC name of 2-ethyl-4-iminopentan-1-amine (CID 54527559) is 2-ethyl-4-iminopentan-1-amine.
What is the SMILES notation for 2-ethyl-4-iminopentan-1-amine?
The canonical SMILES for 2-ethyl-4-iminopentan-1-amine is [H]/N=C(\C)CC(CC)CN.
What is the InChIKey of 2-ethyl-4-iminopentan-1-amine?
The InChIKey is YUENUNBOOCCSPL-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H16N2/c1-3-7(5-8)4-6(2)9/h7,9H,3-5,8H2,1-2H3/b9-6+.
What are the key properties of 2-ethyl-4-iminopentan-1-amine?
2-ethyl-4-iminopentan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-iminopentan-1-amine is sourced from PubChem (CID 54527559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).