3-amino-1-(hexylamino)propan-1-ol

C9H22N2O — CID 174419599

IUPAC3-amino-1-(hexylamino)propan-1-ol
SMILESCCCCCCNC(O)CCN
InChIInChI=1S/C9H22N2O/c1-2-3-4-5-8-11-9(12)6-7-10/h9,11-12H,2-8,10H2,1H3
InChIKeyYBXNSNPAKHSPMD-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.82
Rot. Bonds8

About 3-amino-1-(hexylamino)propan-1-ol

3-amino-1-(hexylamino)propan-1-ol (PubChem CID 174419599) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-amino-1-(hexylamino)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(hexylamino)propan-1-ol
PubChem CID174419599
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name3-amino-1-(hexylamino)propan-1-ol
SMILESCCCCCCNC(O)CCN
InChIInChI=1S/C9H22N2O/c1-2-3-4-5-8-11-9(12)6-7-10/h9,11-12H,2-8,10H2,1H3
InChIKeyYBXNSNPAKHSPMD-UHFFFAOYSA-N
XLogP0.82
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(octylamino)dodecan-1-ol
CID 88518081
2-amino-1-(pentylamino)ethanol
CID 88684452
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
1-(4-hydroxybutylamino)tetracosan-1-ol
CID 88518032
1-(4-hydroxybutylamino)icosan-1-ol
CID 57137086
1-[5-(dodecylamino)pentylamino]pentan-1-ol
CID 166892872
1-(hexylamino)propan-1-ol
CID 57070645
2-N-dodecylbutane-1,2,4-triamine
CID 19990016
1-(3-hydroxypropylamino)octan-1-ol
CID 57106869

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(hexylamino)propan-1-ol?
The IUPAC name of 3-amino-1-(hexylamino)propan-1-ol (CID 174419599) is 3-amino-1-(hexylamino)propan-1-ol.
What is the SMILES notation for 3-amino-1-(hexylamino)propan-1-ol?
The canonical SMILES for 3-amino-1-(hexylamino)propan-1-ol is CCCCCCNC(O)CCN.
What is the InChIKey of 3-amino-1-(hexylamino)propan-1-ol?
The InChIKey is YBXNSNPAKHSPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-2-3-4-5-8-11-9(12)6-7-10/h9,11-12H,2-8,10H2,1H3.
What are the key properties of 3-amino-1-(hexylamino)propan-1-ol?
3-amino-1-(hexylamino)propan-1-ol has a molecular weight of 174.29 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(hexylamino)propan-1-ol is sourced from PubChem (CID 174419599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).