1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol

C10H21NO — CID 163455337

IUPAC1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol
SMILESCC/C=C\N(C(C)O)C(C)CC
InChIInChI=1S/C10H21NO/c1-5-7-8-11(10(4)12)9(3)6-2/h7-10,12H,5-6H2,1-4H3/b8-7-
InChIKeyBJZACFVRRIONPU-FPLPWBNLSA-N
MW171.28 g/mol
LogP2.35
Rot. Bonds5

About 1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol

1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol (PubChem CID 163455337) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol.

Molecular Properties

Compound Name1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol
PubChem CID163455337
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol
SMILESCC/C=C\N(C(C)O)C(C)CC
InChIInChI=1S/C10H21NO/c1-5-7-8-11(10(4)12)9(3)6-2/h7-10,12H,5-6H2,1-4H3/b8-7-
InChIKeyBJZACFVRRIONPU-FPLPWBNLSA-N
XLogP2.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol?
The IUPAC name of 1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol (CID 163455337) is 1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol.
What is the SMILES notation for 1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol?
The canonical SMILES for 1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol is CC/C=C\N(C(C)O)C(C)CC.
What is the InChIKey of 1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol?
The InChIKey is BJZACFVRRIONPU-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-7-8-11(10(4)12)9(3)6-2/h7-10,12H,5-6H2,1-4H3/b8-7-.
What are the key properties of 1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol?
1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol has a molecular weight of 171.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butan-2-yl-[(Z)-but-1-enyl]amino]ethanol is sourced from PubChem (CID 163455337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).