2-(hexylamino)pentan-1-ol

C11H25NO — CID 155661034

IUPAC2-(hexylamino)pentan-1-ol
SMILESCCCCCCNC(CO)CCC
InChIInChI=1S/C11H25NO/c1-3-5-6-7-9-12-11(10-13)8-4-2/h11-13H,3-10H2,1-2H3
InChIKeyITUWCSXTUTUOOH-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.32
Rot. Bonds9

About 2-(hexylamino)pentan-1-ol

2-(hexylamino)pentan-1-ol (PubChem CID 155661034) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-(hexylamino)pentan-1-ol.

Molecular Properties

Compound Name2-(hexylamino)pentan-1-ol
PubChem CID155661034
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-(hexylamino)pentan-1-ol
SMILESCCCCCCNC(CO)CCC
InChIInChI=1S/C11H25NO/c1-3-5-6-7-9-12-11(10-13)8-4-2/h11-13H,3-10H2,1-2H3
InChIKeyITUWCSXTUTUOOH-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.32
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

2-(decylamino)butan-1-ol
CID 60668820
N-hexan-3-ylhexan-1-amine
CID 62117591
(2S)-2-(pentylamino)butan-1-ol
CID 28724748
(2S)-2-(decylamino)-4-methylpentan-1-ol
CID 98495932
N-pentyloctan-4-amine
CID 106023306
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
3-(octadecylamino)pentane-1,5-diol;hydrochloride
CID 173050552
3-methoxy-2-(nonylamino)propan-1-ol
CID 106190641
2-(decylamino)-3-methoxypropan-1-ol
CID 114155671
3-[[(2R)-1-hydroxypentan-2-yl]amino]propane-1-sulfonic acid
CID 58052830
5-[13-(5-hydroxypentylamino)nonadecan-7-ylamino]pentan-1-ol
CID 15272899
(2S)-2-(hexylamino)propan-1-ol
CID 88509072

Frequently Asked Questions

What is the IUPAC name of 2-(hexylamino)pentan-1-ol?
The IUPAC name of 2-(hexylamino)pentan-1-ol (CID 155661034) is 2-(hexylamino)pentan-1-ol.
What is the SMILES notation for 2-(hexylamino)pentan-1-ol?
The canonical SMILES for 2-(hexylamino)pentan-1-ol is CCCCCCNC(CO)CCC.
What is the InChIKey of 2-(hexylamino)pentan-1-ol?
The InChIKey is ITUWCSXTUTUOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-3-5-6-7-9-12-11(10-13)8-4-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-(hexylamino)pentan-1-ol?
2-(hexylamino)pentan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexylamino)pentan-1-ol is sourced from PubChem (CID 155661034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).