(E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol

C15H31NO — CID 163944134

IUPAC(E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol
SMILESCCCC/C(C)=C(\CC)CCCC(N)C(C)O
InChIInChI=1S/C15H31NO/c1-5-7-9-12(3)14(6-2)10-8-11-15(16)13(4)17/h13,15,17H,5-11,16H2,1-4H3/b14-12+
InChIKeyRTPNZQYPXFFDTM-WYMLVPIESA-N
MW241.42 g/mol
LogP3.78
Rot. Bonds9

About (E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol

(E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol (PubChem CID 163944134) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol.

Molecular Properties

Compound Name(E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol
PubChem CID163944134
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol
SMILESCCCC/C(C)=C(\CC)CCCC(N)C(C)O
InChIInChI=1S/C15H31NO/c1-5-7-9-12(3)14(6-2)10-8-11-15(16)13(4)17/h13,15,17H,5-11,16H2,1-4H3/b14-12+
InChIKeyRTPNZQYPXFFDTM-WYMLVPIESA-N
XLogP3.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol?
The IUPAC name of (E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol (CID 163944134) is (E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol.
What is the SMILES notation for (E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol?
The canonical SMILES for (E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol is CCCC/C(C)=C(\CC)CCCC(N)C(C)O.
What is the InChIKey of (E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol?
The InChIKey is RTPNZQYPXFFDTM-WYMLVPIESA-N. The full InChI is InChI=1S/C15H31NO/c1-5-7-9-12(3)14(6-2)10-8-11-15(16)13(4)17/h13,15,17H,5-11,16H2,1-4H3/b14-12+.
What are the key properties of (E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol?
(E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol has a molecular weight of 241.42 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-7-ethyl-8-methyldodec-7-en-2-ol is sourced from PubChem (CID 163944134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).