1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol

C10H18N2O — CID 146308260

IUPAC1,4-bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol
SMILESC1C=C(C=CC1(CCN)O)CCN
InChIInChI=1S/C10H18N2O/c11-7-3-9-1-4-10(13,5-2-9)6-8-12/h1-2,4,13H,3,5-8,11-12H2
InChIKeyFAEGEDKZCXDUFZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP-0.30
Rot. Bonds4

About 1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol

1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol (PubChem CID 146308260) has the molecular formula C10H18N2O and a molecular weight of 182.26 g/mol. Its IUPAC name is 1,4-bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol
PubChem CID146308260
Molecular FormulaC10H18N2O
Molecular Weight182.26 g/mol
Exact Mass182.14
IUPAC Name1,4-bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol
SMILESC1C=C(C=CC1(CCN)O)CCN
InChIInChI=1S/C10H18N2O/c11-7-3-9-1-4-10(13,5-2-9)6-8-12/h1-2,4,13H,3,5-8,11-12H2
InChIKeyFAEGEDKZCXDUFZ-UHFFFAOYSA-N
XLogP-0.30
TPSA72.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity223

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol (CID 146308260) is 1,4-bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol is C1C=C(C=CC1(CCN)O)CCN.
What is the InChIKey of 1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is FAEGEDKZCXDUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-7-3-9-1-4-10(13,5-2-9)6-8-12/h1-2,4,13H,3,5-8,11-12H2.
What are the key properties of 1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol?
1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 182.26 g/mol, XLogP of -0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-Bis(2-aminoethyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 146308260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).