4-anilinohept-6-en-1-ol

C13H19NO — CID 11564698

IUPAC4-anilinohept-6-en-1-ol
SMILESC=CCC(CCCO)Nc1ccccc1
InChIInChI=1S/C13H19NO/c1-2-7-12(10-6-11-15)14-13-8-4-3-5-9-13/h2-5,8-9,12,14-15H,1,6-7,10-11H2
InChIKeyMOCMUXSFOFAQCO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.82
Rot. Bonds7

About 4-anilinohept-6-en-1-ol

4-anilinohept-6-en-1-ol (PubChem CID 11564698) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-anilinohept-6-en-1-ol.

Molecular Properties

Compound Name4-anilinohept-6-en-1-ol
PubChem CID11564698
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-anilinohept-6-en-1-ol
SMILESC=CCC(CCCO)Nc1ccccc1
InChIInChI=1S/C13H19NO/c1-2-7-12(10-6-11-15)14-13-8-4-3-5-9-13/h2-5,8-9,12,14-15H,1,6-7,10-11H2
InChIKeyMOCMUXSFOFAQCO-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.82
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

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(3R)-3-phenylhex-5-en-1-ol
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(2S)-2-anilinooctan-1-ol
CID 135056963
(2S)-2-phenyl-2-[[(4R)-tridec-1-en-4-yl]amino]ethanol
CID 101125400
3-amino-3-anilinopropan-1-ol
CID 174697333
4-chloro-N-hepta-1,6-dien-4-ylaniline
CID 12026048
N-undecan-3-ylaniline
CID 171755615
(4R)-4-[[(1S)-1-phenylethyl]amino]pentan-1-ol
CID 97051530
N-octan-4-ylaniline
CID 12779854
N-tridecan-6-ylaniline
CID 151143089
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]pentane-1,5-diol
CID 15449406
2-anilino-3-chloropropan-1-ol
CID 42631222

Frequently Asked Questions

What is the IUPAC name of 4-anilinohept-6-en-1-ol?
The IUPAC name of 4-anilinohept-6-en-1-ol (CID 11564698) is 4-anilinohept-6-en-1-ol.
What is the SMILES notation for 4-anilinohept-6-en-1-ol?
The canonical SMILES for 4-anilinohept-6-en-1-ol is C=CCC(CCCO)Nc1ccccc1.
What is the InChIKey of 4-anilinohept-6-en-1-ol?
The InChIKey is MOCMUXSFOFAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-7-12(10-6-11-15)14-13-8-4-3-5-9-13/h2-5,8-9,12,14-15H,1,6-7,10-11H2.
What are the key properties of 4-anilinohept-6-en-1-ol?
4-anilinohept-6-en-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinohept-6-en-1-ol is sourced from PubChem (CID 11564698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).