ethanol;hexan-3-amine

C8H21NO — CID 91562717

IUPACethanol;hexan-3-amine
SMILESCCCC(N)CC.CCO
InChIInChI=1S/C6H15N.C2H6O/c1-3-5-6(7)4-2;1-2-3/h6H,3-5,7H2,1-2H3;3H,2H2,1H3
InChIKeySTQRQNOFSFWDHL-UHFFFAOYSA-N
MW147.26 g/mol
LogP1.52
Rot. Bonds3

About ethanol;hexan-3-amine

ethanol;hexan-3-amine (PubChem CID 91562717) has the molecular formula C8H21NO and a molecular weight of 147.26 g/mol. Its IUPAC name is ethanol;hexan-3-amine.

Molecular Properties

Compound Nameethanol;hexan-3-amine
PubChem CID91562717
Molecular FormulaC8H21NO
Molecular Weight147.26 g/mol
Exact Mass147.16
IUPAC Nameethanol;hexan-3-amine
SMILESCCCC(N)CC.CCO
InChIInChI=1S/C6H15N.C2H6O/c1-3-5-6(7)4-2;1-2-3/h6H,3-5,7H2,1-2H3;3H,2H2,1H3
InChIKeySTQRQNOFSFWDHL-UHFFFAOYSA-N
XLogP1.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;hexan-3-amine?
The IUPAC name of ethanol;hexan-3-amine (CID 91562717) is ethanol;hexan-3-amine.
What is the SMILES notation for ethanol;hexan-3-amine?
The canonical SMILES for ethanol;hexan-3-amine is CCCC(N)CC.CCO.
What is the InChIKey of ethanol;hexan-3-amine?
The InChIKey is STQRQNOFSFWDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H6O/c1-3-5-6(7)4-2;1-2-3/h6H,3-5,7H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;hexan-3-amine?
ethanol;hexan-3-amine has a molecular weight of 147.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;hexan-3-amine is sourced from PubChem (CID 91562717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).