1,1-diamino-1,6-diphenylhexan-3-ol

C18H24N2O — CID 22376004

IUPAC1,1-diamino-1,6-diphenylhexan-3-ol
SMILESNC(N)(CC(O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2O/c19-18(20,16-11-5-2-6-12-16)14-17(21)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,17,21H,7,10,13-14,19-20H2
InChIKeyRXNVPGSQFHIZIB-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.53
Rot. Bonds7

About 1,1-diamino-1,6-diphenylhexan-3-ol

1,1-diamino-1,6-diphenylhexan-3-ol (PubChem CID 22376004) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1,1-diamino-1,6-diphenylhexan-3-ol.

Molecular Properties

Compound Name1,1-diamino-1,6-diphenylhexan-3-ol
PubChem CID22376004
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1,1-diamino-1,6-diphenylhexan-3-ol
SMILESNC(N)(CC(O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N2O/c19-18(20,16-11-5-2-6-12-16)14-17(21)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,17,21H,7,10,13-14,19-20H2
InChIKeyRXNVPGSQFHIZIB-UHFFFAOYSA-N
XLogP2.53
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1,1-diamino-1,6-diphenylhexan-3-ol?
The IUPAC name of 1,1-diamino-1,6-diphenylhexan-3-ol (CID 22376004) is 1,1-diamino-1,6-diphenylhexan-3-ol.
What is the SMILES notation for 1,1-diamino-1,6-diphenylhexan-3-ol?
The canonical SMILES for 1,1-diamino-1,6-diphenylhexan-3-ol is NC(N)(CC(O)CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diamino-1,6-diphenylhexan-3-ol?
The InChIKey is RXNVPGSQFHIZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-18(20,16-11-5-2-6-12-16)14-17(21)13-7-10-15-8-3-1-4-9-15/h1-6,8-9,11-12,17,21H,7,10,13-14,19-20H2.
What are the key properties of 1,1-diamino-1,6-diphenylhexan-3-ol?
1,1-diamino-1,6-diphenylhexan-3-ol has a molecular weight of 284.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diamino-1,6-diphenylhexan-3-ol is sourced from PubChem (CID 22376004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).