4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol

C11H17NO — CID 143093994

IUPAC4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol
SMILESNCCC(O)CC1=CC=CC=CC1
InChIInChI=1S/C11H17NO/c12-8-7-11(13)9-10-5-3-1-2-4-6-10/h1-5,11,13H,6-9,12H2
InChIKeySGHLADICIFDKAC-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.53
Rot. Bonds4

About 4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol

4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol (PubChem CID 143093994) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol
PubChem CID143093994
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol
SMILESNCCC(O)CC1=CC=CC=CC1
InChIInChI=1S/C11H17NO/c12-8-7-11(13)9-10-5-3-1-2-4-6-10/h1-5,11,13H,6-9,12H2
InChIKeySGHLADICIFDKAC-UHFFFAOYSA-N
XLogP1.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-6-Aminocyclohept-3-enol
CID 129710215
(5Z,7Z)-5-(3-aminopropyl)-4-methylidenenona-5,7-dien-1-ol
CID 89050113
(1S,2R,4Z,6Z)-2-amino-3-methylidenecyclonona-4,6-dien-1-ol
CID 117801634
4-Amino-1-cyclohexa-1,5-dien-1-ylbutan-2-ol
CID 143110144
2-amino-4-methyl-3-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol;ethane
CID 143342654
2-amino-4-methyl-3-[(Z)-pent-1-enyl]cyclopent-3-en-1-ol
CID 143601855
(2R,5E,7Z)-5-(aminomethyl)nona-5,7-dien-2-ol
CID 144635801
(Z)-12-aminododec-5-ene-1,3-diol
CID 146253645
(Z)-5-(2-aminoethyl)-4-methylidenehept-5-en-2-ol
CID 164057001
3-Amino-1-cyclohepta-1,3,6-trien-1-ylpropan-1-ol
CID 170229104
(5E,7E)-1-aminotetradeca-5,7-dien-3-ol
CID 20847519
(2S)-1-amino-5-cyclohexa-1,5-dien-1-ylpentan-2-ol
CID 142016559

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol?
The IUPAC name of 4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol (CID 143093994) is 4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol.
What is the SMILES notation for 4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol?
The canonical SMILES for 4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol is NCCC(O)CC1=CC=CC=CC1.
What is the InChIKey of 4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol?
The InChIKey is SGHLADICIFDKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-8-7-11(13)9-10-5-3-1-2-4-6-10/h1-5,11,13H,6-9,12H2.
What are the key properties of 4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol?
4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol has a molecular weight of 179.26 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclohepta-1,3,5-trien-1-ylbutan-2-ol is sourced from PubChem (CID 143093994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).