(3R)-7-aminohept-1-en-3-ol;ethane

C9H21NO — CID 162375843

IUPAC(3R)-7-aminohept-1-en-3-ol;ethane
SMILESC=C[C@H](O)CCCCN.CC
InChIInChI=1S/C7H15NO.C2H6/c1-2-7(9)5-3-4-6-8;1-2/h2,7,9H,1,3-6,8H2;1-2H3/t7-;/m0./s1
InChIKeyJCKWXGDMTNODOB-FJXQXJEOSA-N
MW159.27 g/mol
LogP1.69
Rot. Bonds5

About (3R)-7-aminohept-1-en-3-ol;ethane

(3R)-7-aminohept-1-en-3-ol;ethane (PubChem CID 162375843) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (3R)-7-aminohept-1-en-3-ol;ethane.

Molecular Properties

Compound Name(3R)-7-aminohept-1-en-3-ol;ethane
PubChem CID162375843
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(3R)-7-aminohept-1-en-3-ol;ethane
SMILESC=C[C@H](O)CCCCN.CC
InChIInChI=1S/C7H15NO.C2H6/c1-2-7(9)5-3-4-6-8;1-2/h2,7,9H,1,3-6,8H2;1-2H3/t7-;/m0./s1
InChIKeyJCKWXGDMTNODOB-FJXQXJEOSA-N
XLogP1.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-aminohept-1-en-3-ol;ethane?
The IUPAC name of (3R)-7-aminohept-1-en-3-ol;ethane (CID 162375843) is (3R)-7-aminohept-1-en-3-ol;ethane.
What is the SMILES notation for (3R)-7-aminohept-1-en-3-ol;ethane?
The canonical SMILES for (3R)-7-aminohept-1-en-3-ol;ethane is C=C[C@H](O)CCCCN.CC.
What is the InChIKey of (3R)-7-aminohept-1-en-3-ol;ethane?
The InChIKey is JCKWXGDMTNODOB-FJXQXJEOSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-2-7(9)5-3-4-6-8;1-2/h2,7,9H,1,3-6,8H2;1-2H3/t7-;/m0./s1.
What are the key properties of (3R)-7-aminohept-1-en-3-ol;ethane?
(3R)-7-aminohept-1-en-3-ol;ethane has a molecular weight of 159.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-aminohept-1-en-3-ol;ethane is sourced from PubChem (CID 162375843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).