5-amino-3-tert-butylhept-1-en-4-ol

C11H23NO — CID 88899078

IUPAC5-amino-3-tert-butylhept-1-en-4-ol
SMILESC=CC(C(O)C(N)CC)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-8(11(3,4)5)10(13)9(12)7-2/h6,8-10,13H,1,7,12H2,2-5H3
InChIKeyLYNSVHAOODJDKJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.93
Rot. Bonds4

About 5-amino-3-tert-butylhept-1-en-4-ol

5-amino-3-tert-butylhept-1-en-4-ol (PubChem CID 88899078) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 5-amino-3-tert-butylhept-1-en-4-ol.

Molecular Properties

Compound Name5-amino-3-tert-butylhept-1-en-4-ol
PubChem CID88899078
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name5-amino-3-tert-butylhept-1-en-4-ol
SMILESC=CC(C(O)C(N)CC)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-8(11(3,4)5)10(13)9(12)7-2/h6,8-10,13H,1,7,12H2,2-5H3
InChIKeyLYNSVHAOODJDKJ-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-amino-3-tert-butylhept-1-en-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Amino-7-methyloct-1-en-4-ol
CID 13949650
5-Amino-7-methyloct-1-en-4-ol;hydrochloride
CID 20044143
5-Amino-3,3,7-trimethyloct-1-en-4-ol;hydrochloride
CID 20044172
5-Amino-3,3,7-trimethyloct-1-en-4-ol
CID 20044173
(4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol
CID 56990900
(1R)-2-amino-1-(1-methylcyclohex-3-en-1-yl)propan-1-ol
CID 68186951
(3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol
CID 88884377
2-Amino-4-ethylhept-6-en-3-ol;ethane
CID 156717409
2-Amino-1-(5-methylcyclohex-3-en-1-yl)propan-1-ol
CID 164134165
(6R)-6,10-diamino-4-methyl-4-propan-2-yldec-2-en-5-ol
CID 166779870
(6R)-6,10-diamino-4-butan-2-yl-4-methyldec-2-en-5-ol
CID 166803061
(5R)-1,5-diamino-8-ethyl-7,8-dimethyl-7-prop-1-enylundecan-6-ol
CID 166803087

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-tert-butylhept-1-en-4-ol?
The IUPAC name of 5-amino-3-tert-butylhept-1-en-4-ol (CID 88899078) is 5-amino-3-tert-butylhept-1-en-4-ol.
What is the SMILES notation for 5-amino-3-tert-butylhept-1-en-4-ol?
The canonical SMILES for 5-amino-3-tert-butylhept-1-en-4-ol is C=CC(C(O)C(N)CC)C(C)(C)C.
What is the InChIKey of 5-amino-3-tert-butylhept-1-en-4-ol?
The InChIKey is LYNSVHAOODJDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-8(11(3,4)5)10(13)9(12)7-2/h6,8-10,13H,1,7,12H2,2-5H3.
What are the key properties of 5-amino-3-tert-butylhept-1-en-4-ol?
5-amino-3-tert-butylhept-1-en-4-ol has a molecular weight of 185.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-tert-butylhept-1-en-4-ol is sourced from PubChem (CID 88899078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).