[[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol

C11H19NO — CID 123548852

IUPAC[[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol
SMILESCC=C(C)CC=CC1(NCO)CC1
InChIInChI=1S/C11H19NO/c1-3-10(2)5-4-6-11(7-8-11)12-9-13/h3-4,6,12-13H,5,7-9H2,1-2H3
InChIKeyOOFQZZGDGGBBAY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.97
Rot. Bonds5

About [[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol

[[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol (PubChem CID 123548852) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol.

Molecular Properties

Compound Name[[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol
PubChem CID123548852
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol
SMILESCC=C(C)CC=CC1(NCO)CC1
InChIInChI=1S/C11H19NO/c1-3-10(2)5-4-6-11(7-8-11)12-9-13/h3-4,6,12-13H,5,7-9H2,1-2H3
InChIKeyOOFQZZGDGGBBAY-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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
(3-Methylideneocta-4,6-dien-2-ylamino)methanol
CID 123793937
(2-Cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol;molecular hydrogen;uranium
CID 142360653
(2-Cyclohexa-1,5-dien-1-ylpropan-2-ylamino)methanol
CID 142360654
[[1-[(E)-hept-1-enyl]cyclopropyl]amino]methanol
CID 142399490
[[1-[(E)-6,6-dimethylhept-1-enyl]cyclopropyl]amino]methanol
CID 142399892

Frequently Asked Questions

What is the IUPAC name of [[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol?
The IUPAC name of [[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol (CID 123548852) is [[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol.
What is the SMILES notation for [[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol?
The canonical SMILES for [[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol is CC=C(C)CC=CC1(NCO)CC1.
What is the InChIKey of [[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol?
The InChIKey is OOFQZZGDGGBBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-10(2)5-4-6-11(7-8-11)12-9-13/h3-4,6,12-13H,5,7-9H2,1-2H3.
What are the key properties of [[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol?
[[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol has a molecular weight of 181.28 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-(4-methylhexa-1,4-dienyl)cyclopropyl]amino]methanol is sourced from PubChem (CID 123548852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).