1-(pentylamino)propan-2-ol

C8H19NO — CID 3016247

IUPAC1-(pentylamino)propan-2-ol
SMILESCCCCCNCC(C)O
InChIInChI=1S/C8H19NO/c1-3-4-5-6-9-7-8(2)10/h8-10H,3-7H2,1-2H3
InChIKeyGJLXSQMDBRASLW-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.15
Rot. Bonds6

About 1-(pentylamino)propan-2-ol

1-(pentylamino)propan-2-ol (PubChem CID 3016247) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-(pentylamino)propan-2-ol.

Molecular Properties

Compound Name1-(pentylamino)propan-2-ol
PubChem CID3016247
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-(pentylamino)propan-2-ol
SMILESCCCCCNCC(C)O
InChIInChI=1S/C8H19NO/c1-3-4-5-6-9-7-8(2)10/h8-10H,3-7H2,1-2H3
InChIKeyGJLXSQMDBRASLW-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
1-(pentylamino)propan-2-ol;hydrate
CID 173220039
2-(hexadecylamino)ethane-1,1-diol
CID 87604065
2-(pentacosylamino)ethane-1,1-diol
CID 87068456
2-(octadecylamino)ethane-1,1-diol;hydrate
CID 173098579
[2-(heptylamino)-1-trihydroxyphosphaniumylethyl]-trihydroxyphosphanium
CID 78225533
2-(heptadecylamino)ethane-1,1-diol;hydrobromide
CID 175162321
1-[2-[2-[2-[2-[2-(2-hydroxypropylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]dodecan-2-ol
CID 165109724
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
1-(octadecylamino)butan-2-ol
CID 174541083
1-(3-silylpropylamino)propan-2-ol
CID 165030604
2,3-dimethyl-N-pentylbutan-1-amine
CID 64570276

Frequently Asked Questions

What is the IUPAC name of 1-(pentylamino)propan-2-ol?
The IUPAC name of 1-(pentylamino)propan-2-ol (CID 3016247) is 1-(pentylamino)propan-2-ol.
What is the SMILES notation for 1-(pentylamino)propan-2-ol?
The canonical SMILES for 1-(pentylamino)propan-2-ol is CCCCCNCC(C)O.
What is the InChIKey of 1-(pentylamino)propan-2-ol?
The InChIKey is GJLXSQMDBRASLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-4-5-6-9-7-8(2)10/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-(pentylamino)propan-2-ol?
1-(pentylamino)propan-2-ol has a molecular weight of 145.25 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentylamino)propan-2-ol is sourced from PubChem (CID 3016247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).