4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol

C11H19NO — CID 162725811

IUPAC4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol
SMILESCNCCC(C)C1=CC=C(O)CC1
InChIInChI=1S/C11H19NO/c1-9(7-8-12-2)10-3-5-11(13)6-4-10/h3,5,9,12-13H,4,6-8H2,1-2H3
InChIKeyGIDNDIBVLVNMPQ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.39
Rot. Bonds4

About 4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol

4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol (PubChem CID 162725811) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol
PubChem CID162725811
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol
SMILESCNCCC(C)C1=CC=C(O)CC1
InChIInChI=1S/C11H19NO/c1-9(7-8-12-2)10-3-5-11(13)6-4-10/h3,5,9,12-13H,4,6-8H2,1-2H3
InChIKeyGIDNDIBVLVNMPQ-UHFFFAOYSA-N
XLogP2.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 60152628
(6S)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-(2-methylpropylamino)heptan-2-ol
CID 60152761
4-[5-(Methylamino)pentan-2-yl]cyclohexa-1,3-dien-1-ol
CID 89635913
1-methyl-4-[(2S)-5-(propylamino)pentan-2-yl]cyclohex-3-en-1-ol
CID 89899534
3-(5-Methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol
CID 118548966
5-Methyl-4-[2-(methylamino)ethyl]cyclohexa-1,3-diene-1,2-diol
CID 126729744
(6S)-2-methyl-6-(4-methylcyclohexa-1,3-dien-1-yl)-4-[(2-methylpropylamino)methyl]heptan-2-ol
CID 130433403
4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol
CID 135214153
4-[2-(Methylamino)ethyl]cyclohexa-1,3-dien-1-ol
CID 143147802
(3R)-3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine;molecular hydrogen
CID 143300286
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine;molecular hydrogen
CID 143507278
3-(4-methoxycyclohexa-1,3-dien-1-yl)-N-methylbutan-1-amine
CID 143507279

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol (CID 162725811) is 4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol is CNCCC(C)C1=CC=C(O)CC1.
What is the InChIKey of 4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol?
The InChIKey is GIDNDIBVLVNMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(7-8-12-2)10-3-5-11(13)6-4-10/h3,5,9,12-13H,4,6-8H2,1-2H3.
What are the key properties of 4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol?
4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol has a molecular weight of 181.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)butan-2-yl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 162725811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).