hexane-1,1-diamine;phenol

C12H22N2O — CID 174607848

IUPAChexane-1,1-diamine;phenol
SMILESCCCCCC(N)N.Oc1ccccc1
InChIInChI=1S/C6H16N2.C6H6O/c1-2-3-4-5-6(7)8;7-6-4-2-1-3-5-6/h6H,2-5,7-8H2,1H3;1-5,7H
InChIKeyPFKQLOKESGYJQP-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.20
Rot. Bonds4

About hexane-1,1-diamine;phenol

hexane-1,1-diamine;phenol (PubChem CID 174607848) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is hexane-1,1-diamine;phenol.

Molecular Properties

Compound Namehexane-1,1-diamine;phenol
PubChem CID174607848
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Namehexane-1,1-diamine;phenol
SMILESCCCCCC(N)N.Oc1ccccc1
InChIInChI=1S/C6H16N2.C6H6O/c1-2-3-4-5-6(7)8;7-6-4-2-1-3-5-6/h6H,2-5,7-8H2,1H3;1-5,7H
InChIKeyPFKQLOKESGYJQP-UHFFFAOYSA-N
XLogP2.20
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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cobalt(2+);bis(3-methanidyloctane);phenol;dihydrate
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butan-1-amine;nickel;phenol
CID 174463369
hexacosane-1,1-diamine
CID 137375175
hexane-1,1-diamine;hydrobromide
CID 141245501
hexatriacontane-1,1-diamine
CID 21495844
hexylphosphane;phenol
CID 174816842
tetrakis(nonane);phenol;zirconium(4+)
CID 88632131
4-(1-aminododecyl)phenol
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Frequently Asked Questions

What is the IUPAC name of hexane-1,1-diamine;phenol?
The IUPAC name of hexane-1,1-diamine;phenol (CID 174607848) is hexane-1,1-diamine;phenol.
What is the SMILES notation for hexane-1,1-diamine;phenol?
The canonical SMILES for hexane-1,1-diamine;phenol is CCCCCC(N)N.Oc1ccccc1.
What is the InChIKey of hexane-1,1-diamine;phenol?
The InChIKey is PFKQLOKESGYJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C6H6O/c1-2-3-4-5-6(7)8;7-6-4-2-1-3-5-6/h6H,2-5,7-8H2,1H3;1-5,7H.
What are the key properties of hexane-1,1-diamine;phenol?
hexane-1,1-diamine;phenol has a molecular weight of 210.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,1-diamine;phenol is sourced from PubChem (CID 174607848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).