N-ethylethanamine;2-methylpentane-1,5-diol

C10H25NO2 — CID 21266709

IUPACN-ethylethanamine;2-methylpentane-1,5-diol
SMILESCC(CO)CCCO.CCNCC
InChIInChI=1S/C6H14O2.C4H11N/c1-6(5-8)3-2-4-7;1-3-5-4-2/h6-8H,2-5H2,1H3;5H,3-4H2,1-2H3
InChIKeyVRAPMWYTCANIAN-UHFFFAOYSA-N
MW191.31 g/mol
LogP1.00
Rot. Bonds6

About N-ethylethanamine;2-methylpentane-1,5-diol

N-ethylethanamine;2-methylpentane-1,5-diol (PubChem CID 21266709) has the molecular formula C10H25NO2 and a molecular weight of 191.31 g/mol. Its IUPAC name is N-ethylethanamine;2-methylpentane-1,5-diol.

Molecular Properties

Compound NameN-ethylethanamine;2-methylpentane-1,5-diol
PubChem CID21266709
Molecular FormulaC10H25NO2
Molecular Weight191.31 g/mol
Exact Mass191.19
IUPAC NameN-ethylethanamine;2-methylpentane-1,5-diol
SMILESCC(CO)CCCO.CCNCC
InChIInChI=1S/C6H14O2.C4H11N/c1-6(5-8)3-2-4-7;1-3-5-4-2/h6-8H,2-5H2,1H3;5H,3-4H2,1-2H3
InChIKeyVRAPMWYTCANIAN-UHFFFAOYSA-N
XLogP1.00
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;2-methylpentane-1,5-diol?
The IUPAC name of N-ethylethanamine;2-methylpentane-1,5-diol (CID 21266709) is N-ethylethanamine;2-methylpentane-1,5-diol.
What is the SMILES notation for N-ethylethanamine;2-methylpentane-1,5-diol?
The canonical SMILES for N-ethylethanamine;2-methylpentane-1,5-diol is CC(CO)CCCO.CCNCC.
What is the InChIKey of N-ethylethanamine;2-methylpentane-1,5-diol?
The InChIKey is VRAPMWYTCANIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2.C4H11N/c1-6(5-8)3-2-4-7;1-3-5-4-2/h6-8H,2-5H2,1H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;2-methylpentane-1,5-diol?
N-ethylethanamine;2-methylpentane-1,5-diol has a molecular weight of 191.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;2-methylpentane-1,5-diol is sourced from PubChem (CID 21266709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).