1-(hexylamino)propan-1-ol

C9H21NO — CID 57070645

IUPAC1-(hexylamino)propan-1-ol
SMILESCCCCCCNC(O)CC
InChIInChI=1S/C9H21NO/c1-3-5-6-7-8-10-9(11)4-2/h9-11H,3-8H2,1-2H3
InChIKeyVZSQMTYULBOBHW-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.88
Rot. Bonds7

About 1-(hexylamino)propan-1-ol

1-(hexylamino)propan-1-ol (PubChem CID 57070645) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-(hexylamino)propan-1-ol.

Molecular Properties

Compound Name1-(hexylamino)propan-1-ol
PubChem CID57070645
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-(hexylamino)propan-1-ol
SMILESCCCCCCNC(O)CC
InChIInChI=1S/C9H21NO/c1-3-5-6-7-8-10-9(11)4-2/h9-11H,3-8H2,1-2H3
InChIKeyVZSQMTYULBOBHW-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(1S)-1-(butylamino)propan-1-ol
CID 153016894
1-[3-(1-hydroxypropylamino)propylamino]propan-1-ol
CID 87634862
1-[2-(dodecylamino)ethylamino]propan-1-ol
CID 88834870
7-(1-hydroxypropylamino)heptane-1,1-diol
CID 149148660
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-(butylamino)dodecan-1-ol
CID 88517958
1-(butylamino)heptan-1-ol
CID 88518025
2-(tetradecylamino)propane-1,1-diol
CID 174762987
2-amino-1-(pentylamino)ethanol
CID 88684452

Frequently Asked Questions

What is the IUPAC name of 1-(hexylamino)propan-1-ol?
The IUPAC name of 1-(hexylamino)propan-1-ol (CID 57070645) is 1-(hexylamino)propan-1-ol.
What is the SMILES notation for 1-(hexylamino)propan-1-ol?
The canonical SMILES for 1-(hexylamino)propan-1-ol is CCCCCCNC(O)CC.
What is the InChIKey of 1-(hexylamino)propan-1-ol?
The InChIKey is VZSQMTYULBOBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-3-5-6-7-8-10-9(11)4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-(hexylamino)propan-1-ol?
1-(hexylamino)propan-1-ol has a molecular weight of 159.27 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hexylamino)propan-1-ol is sourced from PubChem (CID 57070645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).