(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium

C10H19NOU — CID 142360653

IUPAC(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium
SMILESCC(C)(NCO)C1=CCCC=C1.[H][H].[U]
InChIInChI=1S/C10H17NO.U.H2/c1-10(2,11-8-12)9-6-4-3-5-7-9;;/h4,6-7,11-12H,3,5,8H2,1-2H3;;1H
InChIKeyCNVNGDABBZLZOY-UHFFFAOYSA-N
MW407.30 g/mol
LogP1.83
Rot. Bonds3

About (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium

(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium (PubChem CID 142360653) has the molecular formula C10H19NOU and a molecular weight of 407.30 g/mol. Its IUPAC name is (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium.

Molecular Properties

Compound Name(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium
PubChem CID142360653
Molecular FormulaC10H19NOU
Molecular Weight407.30 g/mol
Exact Mass407.20
IUPAC Name(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium
SMILESCC(C)(NCO)C1=CCCC=C1.[H][H].[U]
InChIInChI=1S/C10H17NO.U.H2/c1-10(2,11-8-12)9-6-4-3-5-7-9;;/h4,6-7,11-12H,3,5,8H2,1-2H3;;1H
InChIKeyCNVNGDABBZLZOY-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 51.83
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
1-[(1,6-Dimethylcyclohexa-2,4-dien-1-yl)amino]ethanol
CID 156635753
(2-Cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol
CID 142360654
[(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;molecular hydrogen;uranium?
The IUPAC name of (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium (CID 142360653) is (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium.
What is the SMILES notation for (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium?
The canonical SMILES for (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium is CC(C)(NCO)C1=CCCC=C1.[H][H].[U].
What is the InChIKey of (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium?
The InChIKey is CNVNGDABBZLZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.U.H2/c1-10(2,11-8-12)9-6-4-3-5-7-9;;/h4,6-7,11-12H,3,5,8H2,1-2H3;;1H.
What are the key properties of (2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium?
(2-cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium has a molecular weight of 407.30 g/mol, XLogP of 1.83, 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;molecular hydrogen;uranium is sourced from PubChem (CID 142360653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).