2-(hexylideneamino)ethanamine

C8H18N2 — CID 91021386

IUPAC2-(hexylideneamino)ethanamine
SMILESCCCCC/C=N/CCN
InChIInChI=1S/C8H18N2/c1-2-3-4-5-7-10-8-6-9/h7H,2-6,8-9H2,1H3/b10-7+
InChIKeyVQEMSTVLWLZJFJ-JXMROGBWSA-N
MW142.25 g/mol
LogP1.60
Rot. Bonds6

About 2-(hexylideneamino)ethanamine

2-(hexylideneamino)ethanamine (PubChem CID 91021386) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2-(hexylideneamino)ethanamine.

Molecular Properties

Compound Name2-(hexylideneamino)ethanamine
PubChem CID91021386
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2-(hexylideneamino)ethanamine
SMILESCCCCC/C=N/CCN
InChIInChI=1S/C8H18N2/c1-2-3-4-5-7-10-8-6-9/h7H,2-6,8-9H2,1H3/b10-7+
InChIKeyVQEMSTVLWLZJFJ-JXMROGBWSA-N
XLogP1.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,6-Hexanediamine, N1-butylidene-
CID 116610
6-(Hexylideneamino)hexan-1-amine
CID 53961354
6-Hexyliminohexan-1-amine
CID 57077216
3-Hexyliminopropan-1-amine
CID 57232081
2-Hexyliminoethanamine
CID 57235136
2-(Octadecylideneamino)ethanamine
CID 57311237
5-(Butylideneamino)pentan-1-amine
CID 58308982
3-[5-(3-Aminopropylimino)pentylideneamino]propan-1-amine
CID 59344355
6-(Propylideneamino)hexan-1-amine
CID 60088101
3-(Pentylideneamino)propan-1-amine
CID 85779971
2-(Butylideneamino)ethanamine
CID 87560698
2-(Propylideneamino)ethanamine
CID 87720414

Frequently Asked Questions

What is the IUPAC name of 2-(hexylideneamino)ethanamine?
The IUPAC name of 2-(hexylideneamino)ethanamine (CID 91021386) is 2-(hexylideneamino)ethanamine.
What is the SMILES notation for 2-(hexylideneamino)ethanamine?
The canonical SMILES for 2-(hexylideneamino)ethanamine is CCCCC/C=N/CCN.
What is the InChIKey of 2-(hexylideneamino)ethanamine?
The InChIKey is VQEMSTVLWLZJFJ-JXMROGBWSA-N. The full InChI is InChI=1S/C8H18N2/c1-2-3-4-5-7-10-8-6-9/h7H,2-6,8-9H2,1H3/b10-7+.
What are the key properties of 2-(hexylideneamino)ethanamine?
2-(hexylideneamino)ethanamine has a molecular weight of 142.25 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylideneamino)ethanamine is sourced from PubChem (CID 91021386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).