2-amino-1-(pentylamino)ethanol

C7H18N2O — CID 88684452

IUPAC2-amino-1-(pentylamino)ethanol
SMILESCCCCCNC(O)CN
InChIInChI=1S/C7H18N2O/c1-2-3-4-5-9-7(10)6-8/h7,9-10H,2-6,8H2,1H3
InChIKeyOFMZGGMXNCQYIG-UHFFFAOYSA-N
MW146.23 g/mol
LogP0.04
Rot. Bonds6

About 2-amino-1-(pentylamino)ethanol

2-amino-1-(pentylamino)ethanol (PubChem CID 88684452) has the molecular formula C7H18N2O and a molecular weight of 146.23 g/mol. Its IUPAC name is 2-amino-1-(pentylamino)ethanol.

Molecular Properties

Compound Name2-amino-1-(pentylamino)ethanol
PubChem CID88684452
Molecular FormulaC7H18N2O
Molecular Weight146.23 g/mol
Exact Mass146.14
IUPAC Name2-amino-1-(pentylamino)ethanol
SMILESCCCCCNC(O)CN
InChIInChI=1S/C7H18N2O/c1-2-3-4-5-9-7(10)6-8/h7,9-10H,2-6,8H2,1H3
InChIKeyOFMZGGMXNCQYIG-UHFFFAOYSA-N
XLogP0.04
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 50.04
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

3-amino-1-(hexylamino)propan-1-ol
CID 174419599
1-(hexylamino)propan-1-ol
CID 57070645
1-(pentylamino)dodecan-1-ol
CID 88518034
1-(hexadecylamino)docosan-1-ol
CID 88518088
1-(octylamino)dodecan-1-ol
CID 88518081
(hexadecylamino)methanediol
CID 139772673
1-N'-decylethane-1,1,2-triamine
CID 57125344
[1-(pentylamino)ethylamino]methanediol
CID 174609669
(1S)-1-(butylamino)propan-1-ol
CID 153016894
2-(tetradecylamino)propane-1,1-diol
CID 174762987
1-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(pentylamino)ethanol?
The IUPAC name of 2-amino-1-(pentylamino)ethanol (CID 88684452) is 2-amino-1-(pentylamino)ethanol.
What is the SMILES notation for 2-amino-1-(pentylamino)ethanol?
The canonical SMILES for 2-amino-1-(pentylamino)ethanol is CCCCCNC(O)CN.
What is the InChIKey of 2-amino-1-(pentylamino)ethanol?
The InChIKey is OFMZGGMXNCQYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O/c1-2-3-4-5-9-7(10)6-8/h7,9-10H,2-6,8H2,1H3.
What are the key properties of 2-amino-1-(pentylamino)ethanol?
2-amino-1-(pentylamino)ethanol has a molecular weight of 146.23 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(pentylamino)ethanol is sourced from PubChem (CID 88684452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).