[4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol

C12H21NO — CID 163888832

IUPAC[4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
SMILESCCCNC(C)C1C=CC(CO)=CC1
InChIInChI=1S/C12H21NO/c1-3-8-13-10(2)12-6-4-11(9-14)5-7-12/h4-6,10,12-14H,3,7-9H2,1-2H3
InChIKeyPZUKDKBWFBRHQA-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.87
Rot. Bonds5

About [4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol

[4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 163888832) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
PubChem CID163888832
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
SMILESCCCNC(C)C1C=CC(CO)=CC1
InChIInChI=1S/C12H21NO/c1-3-8-13-10(2)12-6-4-11(9-14)5-7-12/h4-6,10,12-14H,3,7-9H2,1-2H3
InChIKeyPZUKDKBWFBRHQA-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol with MolForge

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Related Compounds

4-Methyl-alpha-ethyl-methyl-tyramine
CID 129705387
1-Cyclohexa-1,5-dien-1-yl-2-(propan-2-ylamino)ethanol
CID 20467338
1-Cyclohexa-1,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 53704283
2-Methyl-6-(methylamino)hept-2-en-1-ol
CID 54551357
(E,5S)-2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)hept-2-en-1-ol
CID 68213288
6-Ethyl-1-(2-hydroxyethylamino)cyclohexa-2,4-dien-1-ol
CID 70525083
Amino-[4-(ethylamino)cyclohexa-1,5-dien-1-yl]methanol
CID 70668155
(3-Aminocyclohexa-1,5-dien-1-yl)-[di(propan-2-yl)amino]methanol
CID 70892384
(4-Amino-3,5-dimethylcyclohexa-1,5-dien-1-yl)-(propan-2-ylamino)methanol
CID 70892480
(4-Amino-4-methylcyclohexa-1,5-dien-1-yl)-(cyclohexylamino)methanol
CID 70974445
(2E,4Z)-3-[1-(propan-2-ylamino)propan-2-yl]hepta-2,4-diene-1,6-diol
CID 89246284
(E)-2-methyl-6-(methylamino)hept-2-en-1-ol
CID 90284730

Frequently Asked Questions

What is the IUPAC name of [4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol (CID 163888832) is [4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol is CCCNC(C)C1C=CC(CO)=CC1.
What is the InChIKey of [4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is PZUKDKBWFBRHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-8-13-10(2)12-6-4-11(9-14)5-7-12/h4-6,10,12-14H,3,7-9H2,1-2H3.
What are the key properties of [4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol?
[4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 195.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 163888832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).