4,4-diphenylcyclotridecan-1-amine

C25H35N — CID 175822045

IUPAC4,4-diphenylcyclotridecan-1-amine
SMILESNC1CCCCCCCCCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C25H35N/c26-24-18-12-4-2-1-3-5-13-20-25(21-19-24,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,24H,1-5,12-13,18-21,26H2
InChIKeyHXCSNTNPMHTDPX-UHFFFAOYSA-N
MW349.56 g/mol
LogP6.60
Rot. Bonds2

About 4,4-diphenylcyclotridecan-1-amine

4,4-diphenylcyclotridecan-1-amine (PubChem CID 175822045) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is 4,4-diphenylcyclotridecan-1-amine.

Molecular Properties

Compound Name4,4-diphenylcyclotridecan-1-amine
PubChem CID175822045
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name4,4-diphenylcyclotridecan-1-amine
SMILESNC1CCCCCCCCCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C25H35N/c26-24-18-12-4-2-1-3-5-13-20-25(21-19-24,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,24H,1-5,12-13,18-21,26H2
InChIKeyHXCSNTNPMHTDPX-UHFFFAOYSA-N
XLogP6.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-diphenylcyclotridecan-1-amine?
The IUPAC name of 4,4-diphenylcyclotridecan-1-amine (CID 175822045) is 4,4-diphenylcyclotridecan-1-amine.
What is the SMILES notation for 4,4-diphenylcyclotridecan-1-amine?
The canonical SMILES for 4,4-diphenylcyclotridecan-1-amine is NC1CCCCCCCCCC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 4,4-diphenylcyclotridecan-1-amine?
The InChIKey is HXCSNTNPMHTDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N/c26-24-18-12-4-2-1-3-5-13-20-25(21-19-24,22-14-8-6-9-15-22)23-16-10-7-11-17-23/h6-11,14-17,24H,1-5,12-13,18-21,26H2.
What are the key properties of 4,4-diphenylcyclotridecan-1-amine?
4,4-diphenylcyclotridecan-1-amine has a molecular weight of 349.56 g/mol, XLogP of 6.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diphenylcyclotridecan-1-amine is sourced from PubChem (CID 175822045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).