3,3-diphenylcyclopentane-1,1-diamine

C17H20N2 — CID 70622248

IUPAC3,3-diphenylcyclopentane-1,1-diamine
SMILESNC1(N)CCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C17H20N2/c18-17(19)12-11-16(13-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13,18-19H2
InChIKeySIVHQNAPFSENRL-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.77
Rot. Bonds2

About 3,3-diphenylcyclopentane-1,1-diamine

3,3-diphenylcyclopentane-1,1-diamine (PubChem CID 70622248) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,3-diphenylcyclopentane-1,1-diamine.

Molecular Properties

Compound Name3,3-diphenylcyclopentane-1,1-diamine
PubChem CID70622248
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name3,3-diphenylcyclopentane-1,1-diamine
SMILESNC1(N)CCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C17H20N2/c18-17(19)12-11-16(13-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13,18-19H2
InChIKeySIVHQNAPFSENRL-UHFFFAOYSA-N
XLogP2.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3,3-diphenylcyclopentane-1,1-diamine?
The IUPAC name of 3,3-diphenylcyclopentane-1,1-diamine (CID 70622248) is 3,3-diphenylcyclopentane-1,1-diamine.
What is the SMILES notation for 3,3-diphenylcyclopentane-1,1-diamine?
The canonical SMILES for 3,3-diphenylcyclopentane-1,1-diamine is NC1(N)CCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 3,3-diphenylcyclopentane-1,1-diamine?
The InChIKey is SIVHQNAPFSENRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c18-17(19)12-11-16(13-17,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10H,11-13,18-19H2.
What are the key properties of 3,3-diphenylcyclopentane-1,1-diamine?
3,3-diphenylcyclopentane-1,1-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylcyclopentane-1,1-diamine is sourced from PubChem (CID 70622248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).