N,N,2-triphenyladamantan-1-amine

C28H29N — CID 175533979

IUPACN,N,2-triphenyladamantan-1-amine
SMILESc1ccc(C2C3CC4CC(C3)CC2(N(c2ccccc2)c2ccccc2)C4)cc1
InChIInChI=1S/C28H29N/c1-4-10-23(11-5-1)27-24-17-21-16-22(18-24)20-28(27,19-21)29(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,21-22,24,27H,16-20H2
InChIKeyZVJXFYUFNSTHQI-UHFFFAOYSA-N
MW379.55 g/mol
LogP7.19
Rot. Bonds4

About N,N,2-triphenyladamantan-1-amine

N,N,2-triphenyladamantan-1-amine (PubChem CID 175533979) has the molecular formula C28H29N and a molecular weight of 379.55 g/mol. Its IUPAC name is N,N,2-triphenyladamantan-1-amine.

Molecular Properties

Compound NameN,N,2-triphenyladamantan-1-amine
PubChem CID175533979
Molecular FormulaC28H29N
Molecular Weight379.55 g/mol
Exact Mass379.23
IUPAC NameN,N,2-triphenyladamantan-1-amine
SMILESc1ccc(C2C3CC4CC(C3)CC2(N(c2ccccc2)c2ccccc2)C4)cc1
InChIInChI=1S/C28H29N/c1-4-10-23(11-5-1)27-24-17-21-16-22(18-24)20-28(27,19-21)29(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,21-22,24,27H,16-20H2
InChIKeyZVJXFYUFNSTHQI-UHFFFAOYSA-N
XLogP7.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 425021
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CID 94071
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CID 53401248
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CID 58850719
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CID 14366516
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CID 303939
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Frequently Asked Questions

What is the IUPAC name of N,N,2-triphenyladamantan-1-amine?
The IUPAC name of N,N,2-triphenyladamantan-1-amine (CID 175533979) is N,N,2-triphenyladamantan-1-amine.
What is the SMILES notation for N,N,2-triphenyladamantan-1-amine?
The canonical SMILES for N,N,2-triphenyladamantan-1-amine is c1ccc(C2C3CC4CC(C3)CC2(N(c2ccccc2)c2ccccc2)C4)cc1.
What is the InChIKey of N,N,2-triphenyladamantan-1-amine?
The InChIKey is ZVJXFYUFNSTHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N/c1-4-10-23(11-5-1)27-24-17-21-16-22(18-24)20-28(27,19-21)29(25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-15,21-22,24,27H,16-20H2.
What are the key properties of N,N,2-triphenyladamantan-1-amine?
N,N,2-triphenyladamantan-1-amine has a molecular weight of 379.55 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-triphenyladamantan-1-amine is sourced from PubChem (CID 175533979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).