2-(octylideneamino)ethanamine

C10H22N2 — CID 90701559

IUPAC2-(octylideneamino)ethanamine
SMILESCCCCCCC/C=N/CCN
InChIInChI=1S/C10H22N2/c1-2-3-4-5-6-7-9-12-10-8-11/h9H,2-8,10-11H2,1H3/b12-9+
InChIKeyGZEZFWWKWQKBDC-FMIVXFBMSA-N
MW170.30 g/mol
LogP2.38
Rot. Bonds8

About 2-(octylideneamino)ethanamine

2-(octylideneamino)ethanamine (PubChem CID 90701559) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-(octylideneamino)ethanamine.

Molecular Properties

Compound Name2-(octylideneamino)ethanamine
PubChem CID90701559
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-(octylideneamino)ethanamine
SMILESCCCCCCC/C=N/CCN
InChIInChI=1S/C10H22N2/c1-2-3-4-5-6-7-9-12-10-8-11/h9H,2-8,10-11H2,1H3/b12-9+
InChIKeyGZEZFWWKWQKBDC-FMIVXFBMSA-N
XLogP2.38
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.38
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
3-(Docosylideneamino)propan-1-amine
CID 53721281
6-(Hexylideneamino)hexan-1-amine
CID 53961354
N'-[2-(octadecylideneamino)ethyl]ethane-1,2-diamine
CID 54218215
3-(Octadecylideneamino)propan-1-amine
CID 54408270
6-Hexyliminohexan-1-amine
CID 57077216
3-Hexyliminopropan-1-amine
CID 57232081
2-(Octadecylideneamino)ethanamine
CID 57311237
6-(Propylideneamino)hexan-1-amine
CID 60088101
3-(Pentylideneamino)propan-1-amine
CID 85779971
3-Octadecyliminopropan-1-amine
CID 88695161
4-Octadecyliminobutan-1-amine
CID 88695609

Frequently Asked Questions

What is the IUPAC name of 2-(octylideneamino)ethanamine?
The IUPAC name of 2-(octylideneamino)ethanamine (CID 90701559) is 2-(octylideneamino)ethanamine.
What is the SMILES notation for 2-(octylideneamino)ethanamine?
The canonical SMILES for 2-(octylideneamino)ethanamine is CCCCCCC/C=N/CCN.
What is the InChIKey of 2-(octylideneamino)ethanamine?
The InChIKey is GZEZFWWKWQKBDC-FMIVXFBMSA-N. The full InChI is InChI=1S/C10H22N2/c1-2-3-4-5-6-7-9-12-10-8-11/h9H,2-8,10-11H2,1H3/b12-9+.
What are the key properties of 2-(octylideneamino)ethanamine?
2-(octylideneamino)ethanamine has a molecular weight of 170.30 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octylideneamino)ethanamine is sourced from PubChem (CID 90701559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).