2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol

C10H17NO — CID 91522670

IUPAC2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
SMILESCC(N)C(O)C1C=CC=CC1C
InChIInChI=1S/C10H17NO/c1-7-5-3-4-6-9(7)10(12)8(2)11/h3-10,12H,11H2,1-2H3
InChIKeyNAGJGTJZZXJTNV-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.07
Rot. Bonds2

About 2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol

2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol (PubChem CID 91522670) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
PubChem CID91522670
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
SMILESCC(N)C(O)C1C=CC=CC1C
InChIInChI=1S/C10H17NO/c1-7-5-3-4-6-9(7)10(12)8(2)11/h3-10,12H,11H2,1-2H3
InChIKeyNAGJGTJZZXJTNV-UHFFFAOYSA-N
XLogP1.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,5E,7E)-2-aminotetradeca-5,7,13-trien-3-ol
CID 71770472
2-Amino-1-cyclohex-3-en-1-ylethanol;hydrochloride
CID 90677520
2-Amino-1-cyclohex-3-enyl-ethanol
CID 13829883
(-)-Pseudoephedrinhydrochlorid
CID 129629514
(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 129629515
(2S,3S)-2-cyclohexa-2,4-dien-1-yl-3-(methylamino)butan-2-ol
CID 129630658
(1s,2s)-Pseudoephedrine hydrochloride
CID 129847299
m-Hydroxypseudoephedrine
CID 129705379
(-)3,4-Di-hydrooxynorephedrine
CID 129818855
(1R)-2-amino-1-cyclohexa-2,4-dien-1-ylethanol
CID 59515457
(1R)-2-amino-1-(1-methylcyclohex-3-en-1-yl)propan-1-ol
CID 68186951
(1S)-2-amino-1-cyclohexa-2,4-dien-1-yl-3-methoxypropan-1-ol
CID 68300516

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol?
The IUPAC name of 2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol (CID 91522670) is 2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol?
The canonical SMILES for 2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol is CC(N)C(O)C1C=CC=CC1C.
What is the InChIKey of 2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol?
The InChIKey is NAGJGTJZZXJTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-5-3-4-6-9(7)10(12)8(2)11/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol?
2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol has a molecular weight of 167.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-methylcyclohexa-2,4-dien-1-yl)propan-1-ol is sourced from PubChem (CID 91522670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).