2-(6-aminohexylamino)acetaldehyde

C8H18N2O — CID 18358431

IUPAC2-(6-aminohexylamino)acetaldehyde
SMILESNCCCCCCNCC=O
InChIInChI=1S/C8H18N2O/c9-5-3-1-2-4-6-10-7-8-11/h8,10H,1-7,9H2
InChIKeySTCZYFNZUMTAOC-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.29
Rot. Bonds8

About 2-(6-aminohexylamino)acetaldehyde

2-(6-aminohexylamino)acetaldehyde (PubChem CID 18358431) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-(6-aminohexylamino)acetaldehyde.

Molecular Properties

Compound Name2-(6-aminohexylamino)acetaldehyde
PubChem CID18358431
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name2-(6-aminohexylamino)acetaldehyde
SMILESNCCCCCCNCC=O
InChIInChI=1S/C8H18N2O/c9-5-3-1-2-4-6-10-7-8-11/h8,10H,1-7,9H2
InChIKeySTCZYFNZUMTAOC-UHFFFAOYSA-N
XLogP0.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(Dodecylamino) ethanal
CID 19008509
N-decylaminoacetaldehyde
CID 87184304
6-Amino-2-(propan-2-ylamino)hexanal
CID 19882121
2-(Tetradecylamino)acetaldehyde
CID 19937302
2-(1-Methylhexylamino)acetaldehyde
CID 20307416
2-(Pentylamino)acetaldehyde
CID 20548449
2-(Hexylamino)acetaldehyde
CID 20548465
2-(Cyclohexylamino)acetaldehyde
CID 22142127
2-(Hexylamino)propanal
CID 22366868
2-(Pentylamino)propanal
CID 22366874
(2S)-2-[[4-(propan-2-ylamino)cyclohexyl]amino]propanal
CID 23519304
2-[(4-Aminocyclohexyl)amino]acetaldehyde
CID 53672528

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminohexylamino)acetaldehyde?
The IUPAC name of 2-(6-aminohexylamino)acetaldehyde (CID 18358431) is 2-(6-aminohexylamino)acetaldehyde.
What is the SMILES notation for 2-(6-aminohexylamino)acetaldehyde?
The canonical SMILES for 2-(6-aminohexylamino)acetaldehyde is NCCCCCCNCC=O.
What is the InChIKey of 2-(6-aminohexylamino)acetaldehyde?
The InChIKey is STCZYFNZUMTAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c9-5-3-1-2-4-6-10-7-8-11/h8,10H,1-7,9H2.
What are the key properties of 2-(6-aminohexylamino)acetaldehyde?
2-(6-aminohexylamino)acetaldehyde has a molecular weight of 158.25 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexylamino)acetaldehyde is sourced from PubChem (CID 18358431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).