(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol

C10H17NO — CID 142360654

IUPAC(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol
SMILESCC(C)(NCO)C1=CCCC=C1
InChIInChI=1S/C10H17NO/c1-10(2,11-8-12)9-6-4-3-5-7-9/h4,6-7,11-12H,3,5,8H2,1-2H3
InChIKeySQEIGVHIFNZZRJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.58
Rot. Bonds3

About (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol

(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol (PubChem CID 142360654) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol.

Molecular Properties

Compound Name(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol
PubChem CID142360654
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol
SMILESCC(C)(NCO)C1=CCCC=C1
InChIInChI=1S/C10H17NO/c1-10(2,11-8-12)9-6-4-3-5-7-9/h4,6-7,11-12H,3,5,8H2,1-2H3
InChIKeySQEIGVHIFNZZRJ-UHFFFAOYSA-N
XLogP1.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[[(5Z)-2-fluoro-3-methylhepta-1,5-dien-3-yl]amino]methanol
CID 89073861
[[(5E)-6-methylocta-1,5-dien-3-yl]amino]methanol
CID 89153849
[[1-(4-Methylhexa-1,4-dienyl)cyclopropyl]amino]methanol
CID 123548852
(3-Methylideneocta-4,6-dien-2-ylamino)methanol
CID 123793937
(Cyclohexa-1,5-dien-1-ylmethylamino)methanol
CID 141890462
(2-Cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium
CID 142360653
2-cyclohexa-1,5-dien-1-yl-N-methylpropan-2-amine
CID 143410957
1-[(1,6-Dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 156635753
(6Z)-6-ethylidene-N,1,4-trimethylcyclohexa-2,4-dien-1-amine
CID 143519291
[(5-Chloro-1,4-dimethylcyclohexa-2,4-dien-1-yl)amino]methanol
CID 163929006

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol?
The IUPAC name of (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol (CID 142360654) is (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol.
What is the SMILES notation for (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol?
The canonical SMILES for (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol is CC(C)(NCO)C1=CCCC=C1.
What is the InChIKey of (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol?
The InChIKey is SQEIGVHIFNZZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,11-8-12)9-6-4-3-5-7-9/h4,6-7,11-12H,3,5,8H2,1-2H3.
What are the key properties of (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol?
(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol has a molecular weight of 167.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol is sourced from PubChem (CID 142360654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).