4-(hex-5-en-2-ylamino)pentan-1-ol

C11H23NO — CID 104582956

IUPAC4-(hex-5-en-2-ylamino)pentan-1-ol
SMILESC=CCCC(C)NC(C)CCCO
InChIInChI=1S/C11H23NO/c1-4-5-7-10(2)12-11(3)8-6-9-13/h4,10-13H,1,5-9H2,2-3H3
InChIKeySHUCOTQICKUXJL-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.09
Rot. Bonds8

About 4-(hex-5-en-2-ylamino)pentan-1-ol

4-(hex-5-en-2-ylamino)pentan-1-ol (PubChem CID 104582956) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 4-(hex-5-en-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(hex-5-en-2-ylamino)pentan-1-ol
PubChem CID104582956
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name4-(hex-5-en-2-ylamino)pentan-1-ol
SMILESC=CCCC(C)NC(C)CCCO
InChIInChI=1S/C11H23NO/c1-4-5-7-10(2)12-11(3)8-6-9-13/h4,10-13H,1,5-9H2,2-3H3
InChIKeySHUCOTQICKUXJL-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582668
N-(1-methylsulfanylpropan-2-yl)hex-5-en-2-amine
CID 104582576
(4R)-4-[[(2S)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051627
(4S)-4-[[(2R)-4-methylpentan-2-yl]amino]pentan-1-ol
CID 97051624
3-N-hex-5-en-2-yl-1-N,1-N-dimethylbutane-1,3-diamine
CID 104582088
(4S)-4-[[(2R)-1-methoxypropan-2-yl]amino]pentan-1-ol
CID 97051570
2-(hex-5-en-2-ylamino)propanamide
CID 104581628
(2S)-2-(hex-5-en-2-ylamino)propanoic acid;2,2,2-trifluoroacetic acid
CID 121457049
4-[(4-hydroxy-3-methylbutan-2-yl)amino]pentan-1-ol
CID 115972098
4-[1-(diethylamino)propan-2-ylamino]pentan-1-ol
CID 115971833
3-(hexan-2-ylamino)butan-1-ol
CID 81338957
(4S)-4-[[(2R,3R)-3-methylpentan-2-yl]amino]pentan-1-ol
CID 97051592

Frequently Asked Questions

What is the IUPAC name of 4-(hex-5-en-2-ylamino)pentan-1-ol?
The IUPAC name of 4-(hex-5-en-2-ylamino)pentan-1-ol (CID 104582956) is 4-(hex-5-en-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-(hex-5-en-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-(hex-5-en-2-ylamino)pentan-1-ol is C=CCCC(C)NC(C)CCCO.
What is the InChIKey of 4-(hex-5-en-2-ylamino)pentan-1-ol?
The InChIKey is SHUCOTQICKUXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-7-10(2)12-11(3)8-6-9-13/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of 4-(hex-5-en-2-ylamino)pentan-1-ol?
4-(hex-5-en-2-ylamino)pentan-1-ol has a molecular weight of 185.31 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hex-5-en-2-ylamino)pentan-1-ol is sourced from PubChem (CID 104582956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).