1-(hexan-2-ylideneamino)ethanamine

C8H18N2 — CID 123584737

IUPAC1-(hexan-2-ylideneamino)ethanamine
SMILESCCCCC(C)=NC(C)N
InChIInChI=1S/C8H18N2/c1-4-5-6-7(2)10-8(3)9/h8H,4-6,9H2,1-3H3
InChIKeyWQANHVFCNWQCAK-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.94
Rot. Bonds4

About 1-(hexan-2-ylideneamino)ethanamine

1-(hexan-2-ylideneamino)ethanamine (PubChem CID 123584737) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-(hexan-2-ylideneamino)ethanamine.

Molecular Properties

Compound Name1-(hexan-2-ylideneamino)ethanamine
PubChem CID123584737
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-(hexan-2-ylideneamino)ethanamine
SMILESCCCCC(C)=NC(C)N
InChIInChI=1S/C8H18N2/c1-4-5-6-7(2)10-8(3)9/h8H,4-6,9H2,1-3H3
InChIKeyWQANHVFCNWQCAK-UHFFFAOYSA-N
XLogP1.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
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 1-(hexan-2-ylideneamino)ethanamine?
The IUPAC name of 1-(hexan-2-ylideneamino)ethanamine (CID 123584737) is 1-(hexan-2-ylideneamino)ethanamine.
What is the SMILES notation for 1-(hexan-2-ylideneamino)ethanamine?
The canonical SMILES for 1-(hexan-2-ylideneamino)ethanamine is CCCCC(C)=NC(C)N.
What is the InChIKey of 1-(hexan-2-ylideneamino)ethanamine?
The InChIKey is WQANHVFCNWQCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-5-6-7(2)10-8(3)9/h8H,4-6,9H2,1-3H3.
What are the key properties of 1-(hexan-2-ylideneamino)ethanamine?
1-(hexan-2-ylideneamino)ethanamine has a molecular weight of 142.25 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexan-2-ylideneamino)ethanamine is sourced from PubChem (CID 123584737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).