6-amino-2-(propan-2-ylamino)hexanal

C9H20N2O — CID 19882121

IUPAC6-amino-2-(propan-2-ylamino)hexanal
SMILESCC(C)NC(C=O)CCCCN
InChIInChI=1S/C9H20N2O/c1-8(2)11-9(7-12)5-3-4-6-10/h7-9,11H,3-6,10H2,1-2H3
InChIKeyVHJHPEHYTBHQRA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.68
Rot. Bonds7

About 6-amino-2-(propan-2-ylamino)hexanal

6-amino-2-(propan-2-ylamino)hexanal (PubChem CID 19882121) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 6-amino-2-(propan-2-ylamino)hexanal.

Molecular Properties

Compound Name6-amino-2-(propan-2-ylamino)hexanal
PubChem CID19882121
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name6-amino-2-(propan-2-ylamino)hexanal
SMILESCC(C)NC(C=O)CCCCN
InChIInChI=1S/C9H20N2O/c1-8(2)11-9(7-12)5-3-4-6-10/h7-9,11H,3-6,10H2,1-2H3
InChIKeyVHJHPEHYTBHQRA-UHFFFAOYSA-N
XLogP0.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.68
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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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(propan-2-ylamino)hexanal?
The IUPAC name of 6-amino-2-(propan-2-ylamino)hexanal (CID 19882121) is 6-amino-2-(propan-2-ylamino)hexanal.
What is the SMILES notation for 6-amino-2-(propan-2-ylamino)hexanal?
The canonical SMILES for 6-amino-2-(propan-2-ylamino)hexanal is CC(C)NC(C=O)CCCCN.
What is the InChIKey of 6-amino-2-(propan-2-ylamino)hexanal?
The InChIKey is VHJHPEHYTBHQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)11-9(7-12)5-3-4-6-10/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 6-amino-2-(propan-2-ylamino)hexanal?
6-amino-2-(propan-2-ylamino)hexanal has a molecular weight of 172.27 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(propan-2-ylamino)hexanal is sourced from PubChem (CID 19882121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).